4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid

C12H16N2O4 — CID 107836086

IUPAC4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
SMILESCc1ccc(N)c(C(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-7-2-3-9(13)8(6-7)11(16)14-5-4-10(15)12(17)18/h2-3,6,10,15H,4-5,13H2,1H3,(H,14,16)(H,17,18)
InChIKeyKRBOOZXQVRFPNF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.14
Rot. Bonds5

About 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid

4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836086) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836086
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
SMILESCc1ccc(N)c(C(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C12H16N2O4/c1-7-2-3-9(13)8(6-7)11(16)14-5-4-10(15)12(17)18/h2-3,6,10,15H,4-5,13H2,1H3,(H,14,16)(H,17,18)
InChIKeyKRBOOZXQVRFPNF-UHFFFAOYSA-N
XLogP0.14
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.14
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-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107836100
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid (CID 107836086) is 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid is Cc1ccc(N)c(C(=O)NCCC(O)C(=O)O)c1.
What is the InChIKey of 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is KRBOOZXQVRFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-2-3-9(13)8(6-7)11(16)14-5-4-10(15)12(17)18/h2-3,6,10,15H,4-5,13H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid?
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).