AB38939
3025-96-5 | 4-Acetamidobutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AB38939
ChemicalName
4-Acetamidobutyric acid
CasNumber
3025-96-5
MolecularFormula
C6H11NO3
MolecularWeight
145.1564
MdlNumber
MFCD00017502
Smiles
OC(=O)CCCNC(=O)C
NscNumber
27423
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-0.6
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CatalogNumber: AB38939
ChemicalName: 4-Acetamidobutyric acid
CasNumber: 3025-96-5
MolecularFormula: C6H11NO3
MolecularWeight: 145.1564
MdlNumber: MFCD00017502
Smiles: OC(=O)CCCNC(=O)C
NscNumber: 27423
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -0.6
CatalogNumber:
AB38939
ChemicalName:
4-Acetamidobutyric acid
CasNumber:
3025-96-5
MolecularFormula:
C6H11NO3
MolecularWeight:
145.1564
MdlNumber:
MFCD00017502
Smiles:
OC(=O)CCCNC(=O)C
NscNumber:
27423
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-0.6
CatalogNumber: AB38940
ChemicalName: N-Acetyl-beta-Alanine
CasNumber: 3025-95-4
MolecularFormula: C5H9NO3
MolecularWeight: 131.1299
MdlNumber: MFCD00037296
Smiles: OC(=O)CCNC(=O)C
NscNumber: 32039
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1
CatalogNumber:
AB38940
ChemicalName:
N-Acetyl-beta-Alanine
CasNumber:
3025-95-4
MolecularFormula:
C5H9NO3
MolecularWeight:
131.1299
MdlNumber:
MFCD00037296
Smiles:
OC(=O)CCNC(=O)C
NscNumber:
32039
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1
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Smiles: Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2
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Smiles:
Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2
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Smiles: CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC
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Smiles:
CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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