(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid

C11H13ClN2O4 — CID 107825070

IUPAC(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESNc1ccc(C(=O)N[C@H](CCO)C(=O)O)cc1Cl
InChIInChI=1S/C11H13ClN2O4/c12-7-5-6(1-2-8(7)13)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyHNQVXIAJGJKENV-SECBINFHSA-N
MW272.69 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825070) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID107825070
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESNc1ccc(C(=O)N[C@H](CCO)C(=O)O)cc1Cl
InChIInChI=1S/C11H13ClN2O4/c12-7-5-6(1-2-8(7)13)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyHNQVXIAJGJKENV-SECBINFHSA-N
XLogP0.49
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-amino-2-[(4-amino-3-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 103870110
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
methyl (2S)-3-amino-2-[(4-amino-3-chlorobenzoyl)amino]propanoate
CID 68641791
2-[(3-amino-4-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 61157151
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid (CID 107825070) is (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid is Nc1ccc(C(=O)N[C@H](CCO)C(=O)O)cc1Cl.
What is the InChIKey of (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is HNQVXIAJGJKENV-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c12-7-5-6(1-2-8(7)13)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 272.69 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).