(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid

C10H13NO4S — CID 107823187

IUPAC(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
SMILESCc1cscc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-6-4-16-5-7(6)9(13)11-8(2-3-12)10(14)15/h4-5,8,12H,2-3H2,1H3,(H,11,13)(H,14,15)/t8-/m1/s1
InChIKeyUXJATAFCOMGOTH-MRVPVSSYSA-N
MW243.28 g/mol
LogP0.62
Rot. Bonds5

About (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid (PubChem CID 107823187) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
PubChem CID107823187
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
SMILESCc1cscc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-6-4-16-5-7(6)9(13)11-8(2-3-12)10(14)15/h4-5,8,12H,2-3H2,1H3,(H,11,13)(H,14,15)/t8-/m1/s1
InChIKeyUXJATAFCOMGOTH-MRVPVSSYSA-N
XLogP0.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)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

(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821224
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
3-(1H-imidazol-5-yl)-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 79803400
(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
CID 107823222
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid (CID 107823187) is (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid is Cc1cscc1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid?
The InChIKey is UXJATAFCOMGOTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-6-4-16-5-7(6)9(13)11-8(2-3-12)10(14)15/h4-5,8,12H,2-3H2,1H3,(H,11,13)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107823187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).