(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid

C14H19NO4 — CID 107823222

IUPAC(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](CCO)C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-8-6-9(2)12(10(3)7-8)13(17)15-11(4-5-16)14(18)19/h6-7,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeySADKKFHHPWPLFK-LLVKDONJSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds5

About (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid (PubChem CID 107823222) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
PubChem CID107823222
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](CCO)C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-8-6-9(2)12(10(3)7-8)13(17)15-11(4-5-16)14(18)19/h6-7,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeySADKKFHHPWPLFK-LLVKDONJSA-N
XLogP1.18
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
(2R)-2-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823350
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid (CID 107823222) is (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid is Cc1cc(C)c(C(=O)N[C@H](CCO)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid?
The InChIKey is SADKKFHHPWPLFK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-6-9(2)12(10(3)7-8)13(17)15-11(4-5-16)14(18)19/h6-7,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 107823222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).