4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid

C12H15NO4 — CID 61243079

IUPAC4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8-2-4-9(5-3-8)11(15)13-10(6-7-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyAESSCLQPXKUFRN-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.56
Rot. Bonds5

About 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid

4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid (PubChem CID 61243079) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
PubChem CID61243079
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8-2-4-9(5-3-8)11(15)13-10(6-7-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyAESSCLQPXKUFRN-UHFFFAOYSA-N
XLogP0.56
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
(2R)-2-[(4-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004976
(2R)-2-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823350
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid (CID 61243079) is 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid is Cc1ccc(C(=O)NC(CCO)C(=O)O)cc1.
What is the InChIKey of 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid?
The InChIKey is AESSCLQPXKUFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-2-4-9(5-3-8)11(15)13-10(6-7-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid?
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 61243079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).