AE98956
185526-66-3 | 2-(1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AE98956
ChemicalName
2-(1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetic acid
CasNumber
185526-66-3
MolecularFormula
C20H27NO4
MolecularWeight
345.4327
MdlNumber
MFCD08461262
Smiles
OC(=O)CC1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity
516
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.2
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CatalogNumber: AE98956
ChemicalName: 2-(1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetic acid
CasNumber: 185526-66-3
MolecularFormula: C20H27NO4
MolecularWeight: 345.4327
MdlNumber: MFCD08461262
Smiles: OC(=O)CC1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 516
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.2
CatalogNumber:
AE98956
ChemicalName:
2-(1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetic acid
CasNumber:
185526-66-3
MolecularFormula:
C20H27NO4
MolecularWeight:
345.4327
MdlNumber:
MFCD08461262
Smiles:
OC(=O)CC1CC2(c3c1cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
516
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.2
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Smiles: C=CCN(Cc1c[nH]c2c1cccc2)CC=C
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C=CCN(Cc1c[nH]c2c1cccc2)CC=C
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Smiles: CCOC(=O)c1ccc(nc1C)C
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Smiles:
CCOC(=O)c1ccc(nc1C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: CCN(c1ccc(cc1)C(=O)c1ccc(cc1)N(CC)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1ccc(cc1)C(=O)c1ccc(cc1)N(CC)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__