AI38670
1692110-84-1 | 1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38670
ChemicalName
1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CasNumber
1692110-84-1
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD28119163
Smiles
CC1CCCN(C1C(=O)O)C(=O)OCc1ccccc1
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.5
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CatalogNumber: AI38670
ChemicalName: 1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CasNumber: 1692110-84-1
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD28119163
Smiles: CC1CCCN(C1C(=O)O)C(=O)OCc1ccccc1
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.5
CatalogNumber:
AI38670
ChemicalName:
1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CasNumber:
1692110-84-1
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD28119163
Smiles:
CC1CCCN(C1C(=O)O)C(=O)OCc1ccccc1
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [F-][Zr+4]([F-])([F-])([F-])([F-])[F-].[K+].[K+]
Complexity: 62.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[F-][Zr+4]([F-])([F-])([F-])([F-])[F-].[K+].[K+]
Complexity:
62.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC(C(=O)O)Cc1ccc(cc1)F)OCC1c2ccccc2c2c1cccc2
Complexity: 584
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(NC(C(=O)O)Cc1ccc(cc1)F)OCC1c2ccccc2c2c1cccc2
Complexity:
584
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(c1ccc(c(c1)F)F)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(c1ccc(c(c1)F)F)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__