AI10098
1160247-56-2 | 2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI10098
ChemicalName
2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber
1160247-56-2
MolecularFormula
C22H31NO6
MolecularWeight
405.4846
MdlNumber
MFCD12198612
Smiles
COc1cc2c(cc1OC)C(CC12CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O
Complexity
607
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
3.2
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CatalogNumber: AI10098
ChemicalName: 2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber: 1160247-56-2
MolecularFormula: C22H31NO6
MolecularWeight: 405.4846
MdlNumber: MFCD12198612
Smiles: COc1cc2c(cc1OC)C(CC12CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O
Complexity: 607
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.2
CatalogNumber:
AI10098
ChemicalName:
2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber:
1160247-56-2
MolecularFormula:
C22H31NO6
MolecularWeight:
405.4846
MdlNumber:
MFCD12198612
Smiles:
COc1cc2c(cc1OC)C(CC12CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O
Complexity:
607
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1CC2(c3c1cc(C)cc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1CC2(c3c1cc(C)cc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI10100
ChemicalName: tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-58-4
MolecularFormula: C18H25BrN2O2
MolecularWeight: 381.3073
MdlNumber: MFCD12198616
Smiles: O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C
Complexity: 454
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AI10100
ChemicalName:
tert-Butyl 3-amino-7-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-58-4
MolecularFormula:
C18H25BrN2O2
MolecularWeight:
381.3073
MdlNumber:
MFCD12198616
Smiles:
O=C(N1CCC2(CC1)CC(c1c2c(Br)ccc1)N)OC(C)(C)C
Complexity:
454
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: AI10101
ChemicalName: tert-Butyl 6-fluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-59-5
MolecularFormula: C18H22FNO2
MolecularWeight: 303.3712
MdlNumber: MFCD12198617
Smiles: Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AI10101
ChemicalName:
tert-Butyl 6-fluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-59-5
MolecularFormula:
C18H22FNO2
MolecularWeight:
303.3712
MdlNumber:
MFCD12198617
Smiles:
Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4