AA46989
4876-14-6 | 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AA46989
ChemicalName
2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid, HCl
CasNumber
4876-14-6
MolecularFormula
C12H13ClN2O3
MolecularWeight
268.6962
MdlNumber
MFCD07787426
Smiles
OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl
Complexity
365
Covalently-bondedUnitCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA46989
ChemicalName: 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid, HCl
CasNumber: 4876-14-6
MolecularFormula: C12H13ClN2O3
MolecularWeight: 268.6962
MdlNumber: MFCD07787426
Smiles: OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl
Complexity: 365
Covalently-bondedUnitCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA46989
ChemicalName:
2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid, HCl
CasNumber:
4876-14-6
MolecularFormula:
C12H13ClN2O3
MolecularWeight:
268.6962
MdlNumber:
MFCD07787426
Smiles:
OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl
Complexity:
365
Covalently-bondedUnitCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
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Smiles: NC(=O)[C@]1(C)CCCN1
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Smiles:
NC(=O)[C@]1(C)CCCN1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2CC[C@H](C1)N2
Complexity: 261
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2CC[C@H](C1)N2
Complexity:
261
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__