3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

C14H15NO5 — CID 43238782

IUPAC3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)NC(C(=O)O)C(C)O)oc2ccccc12
InChIInChI=1S/C14H15NO5/c1-7-9-5-3-4-6-10(9)20-12(7)13(17)15-11(8(2)16)14(18)19/h3-6,8,11,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyVBAPBQFDJPJHSS-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.31
Rot. Bonds4

About 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (PubChem CID 43238782) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
PubChem CID43238782
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)NC(C(=O)O)C(C)O)oc2ccccc12
InChIInChI=1S/C14H15NO5/c1-7-9-5-3-4-6-10(9)20-12(7)13(17)15-11(8(2)16)14(18)19/h3-6,8,11,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyVBAPBQFDJPJHSS-UHFFFAOYSA-N
XLogP1.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[(3-methyl-1-benzofuran-2-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)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
(2S,3R)-2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964498
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51247168
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (CID 43238782) is 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is Cc1c(C(=O)NC(C(=O)O)C(C)O)oc2ccccc12.
What is the InChIKey of 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The InChIKey is VBAPBQFDJPJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-9-5-3-4-6-10(9)20-12(7)13(17)15-11(8(2)16)14(18)19/h3-6,8,11,16H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43238782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).