2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid

C11H13ClN2O3 — CID 174472101

IUPAC2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(Cl)ccc1N)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-2-9(11(16)17)14-10(15)7-5-6(12)3-4-8(7)13/h3-5,9H,2,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyRBNCVYZITACYCJ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.52
Rot. Bonds4

About 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid

2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid (PubChem CID 174472101) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
PubChem CID174472101
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(Cl)ccc1N)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-2-9(11(16)17)14-10(15)7-5-6(12)3-4-8(7)13/h3-5,9H,2,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyRBNCVYZITACYCJ-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
(2S)-5-amino-2-[[(2R)-2-[(2-amino-5-chlorobenzoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 25003874
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
2-[(2-amino-5-bromobenzoyl)amino]-3-(4-chlorophenyl)propanoic acid
CID 18422774
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
2-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808760
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid (CID 174472101) is 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid is CCC(NC(=O)c1cc(Cl)ccc1N)C(=O)O.
What is the InChIKey of 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid?
The InChIKey is RBNCVYZITACYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-9(11(16)17)14-10(15)7-5-6(12)3-4-8(7)13/h3-5,9H,2,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid?
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 174472101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).