AB54918
92053-25-3 | (S)-2-(Pyrrolidin-2-yl)propan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AB54918
ChemicalName
(S)-2-(Pyrrolidin-2-yl)propan-2-ol
CasNumber
92053-25-3
MolecularFormula
C7H15NO
MolecularWeight
129.2001
MdlNumber
MFCD11975452
Smiles
CC([C@@H]1CCCN1)(O)C
Complexity
101
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AB54918
ChemicalName: (S)-2-(Pyrrolidin-2-yl)propan-2-ol
CasNumber: 92053-25-3
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD11975452
Smiles: CC([C@@H]1CCCN1)(O)C
Complexity: 101
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AB54918
ChemicalName:
(S)-2-(Pyrrolidin-2-yl)propan-2-ol
CasNumber:
92053-25-3
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD11975452
Smiles:
CC([C@@H]1CCCN1)(O)C
Complexity:
101
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: AB54919
ChemicalName: (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester, HCl
CasNumber: 87269-87-2
MolecularFormula: C15H20ClNO2
MolecularWeight: 281.7778
MdlNumber: MFCD04974076
Smiles: O=C([C@H]1N[C@@H]2[C@H](C1)CCC2)OCc1ccccc1.Cl
Complexity: 299
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB54919
ChemicalName:
(S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester, HCl
CasNumber:
87269-87-2
MolecularFormula:
C15H20ClNO2
MolecularWeight:
281.7778
MdlNumber:
MFCD04974076
Smiles:
O=C([C@H]1N[C@@H]2[C@H](C1)CCC2)OCc1ccccc1.Cl
Complexity:
299
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB54920
ChemicalName: (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
CasNumber: 80875-98-5
MolecularFormula: C9H15NO2
MolecularWeight: 169.2209
MdlNumber: MFCD07782125
Smiles: OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Complexity: 193
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1
CatalogNumber:
AB54920
ChemicalName:
(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
CasNumber:
80875-98-5
MolecularFormula:
C9H15NO2
MolecularWeight:
169.2209
MdlNumber:
MFCD07782125
Smiles:
OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Complexity:
193
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C(C=C1)COCC2C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C=C1)COCC2C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__