AI10094
1160247-51-7 | 2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI10094
ChemicalName
2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber
1160247-51-7
MolecularFormula
C21H29NO4
MolecularWeight
359.4593
MdlNumber
MFCD12198607
Smiles
OC(=O)CC1CC2(c3c1cccc3C)CCN(CC2)C(=O)OC(C)(C)C
Complexity
545
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.6
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CatalogNumber: AI10094
ChemicalName: 2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber: 1160247-51-7
MolecularFormula: C21H29NO4
MolecularWeight: 359.4593
MdlNumber: MFCD12198607
Smiles: OC(=O)CC1CC2(c3c1cccc3C)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 545
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.6
CatalogNumber:
AI10094
ChemicalName:
2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid
CasNumber:
1160247-51-7
MolecularFormula:
C21H29NO4
MolecularWeight:
359.4593
MdlNumber:
MFCD12198607
Smiles:
OC(=O)CC1CC2(c3c1cccc3C)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
545
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.6
CatalogNumber: AI10095
ChemicalName: tert-Butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-52-8
MolecularFormula: C18H22BrNO3
MolecularWeight: 380.2762
MdlNumber: MFCD12198608
Smiles: O=C(N1CCC2(CC1)CC(=O)c1c2c(Br)ccc1)OC(C)(C)C
Complexity: 491
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
AI10095
ChemicalName:
tert-Butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-52-8
MolecularFormula:
C18H22BrNO3
MolecularWeight:
380.2762
MdlNumber:
MFCD12198608
Smiles:
O=C(N1CCC2(CC1)CC(=O)c1c2c(Br)ccc1)OC(C)(C)C
Complexity:
491
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)C(N)CC12CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)C(N)CC12CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC2(CC1)CC(c1c2cc(F)cc1)CC(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC2(CC1)CC(c1c2cc(F)cc1)CC(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__