AB55971
72580-53-1 | (S)-Pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB55971
ChemicalName
(S)-Pyrrolidine-3-carboxylic acid
CasNumber
72580-53-1
MolecularFormula
C5H9NO2
MolecularWeight
115.1305
MdlNumber
MFCD06738463
Smiles
OC(=O)[C@@H]1CNCC1
Complexity
103
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-3.2
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CatalogNumber: AB55971
ChemicalName: (S)-Pyrrolidine-3-carboxylic acid
CasNumber: 72580-53-1
MolecularFormula: C5H9NO2
MolecularWeight: 115.1305
MdlNumber: MFCD06738463
Smiles: OC(=O)[C@@H]1CNCC1
Complexity: 103
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -3.2
CatalogNumber:
AB55971
ChemicalName:
(S)-Pyrrolidine-3-carboxylic acid
CasNumber:
72580-53-1
MolecularFormula:
C5H9NO2
MolecularWeight:
115.1305
MdlNumber:
MFCD06738463
Smiles:
OC(=O)[C@@H]1CNCC1
Complexity:
103
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[S@@](=O)(=N)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[S@@](=O)(=N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB55973
ChemicalName: (S)-(+)-Tetrahydrofurfurylamine
CasNumber: 7175-81-7
MolecularFormula: C5H11NO
MolecularWeight: 101.1469
MdlNumber: MFCD00085303
Smiles: NC[C@@H]1CCCO1
Complexity: 56
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB55973
ChemicalName:
(S)-(+)-Tetrahydrofurfurylamine
CasNumber:
7175-81-7
MolecularFormula:
C5H11NO
MolecularWeight:
101.1469
MdlNumber:
MFCD00085303
Smiles:
NC[C@@H]1CCCO1
Complexity:
56
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC[C@H](Cc1ccccc1)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC[C@H](Cc1ccccc1)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__