(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

C14H15NO5 — CID 107822987

IUPAC(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N[C@H](CCO)C(=O)O)oc2ccccc12
InChIInChI=1S/C14H15NO5/c1-8-9-4-2-3-5-11(9)20-12(8)13(17)15-10(6-7-16)14(18)19/h2-5,10,16H,6-7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyJKHCHRQTXKMSBL-SNVBAGLBSA-N
MW277.28 g/mol
LogP1.31
Rot. Bonds5

About (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (PubChem CID 107822987) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
PubChem CID107822987
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N[C@H](CCO)C(=O)O)oc2ccccc12
InChIInChI=1S/C14H15NO5/c1-8-9-4-2-3-5-11(9)20-12(8)13(17)15-10(6-7-16)14(18)19/h2-5,10,16H,6-7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyJKHCHRQTXKMSBL-SNVBAGLBSA-N
XLogP1.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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 (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713
(2S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822156
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
N'-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-5-oxohexanediamide
CID 171108175
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (CID 107822987) is (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is Cc1c(C(=O)N[C@H](CCO)C(=O)O)oc2ccccc12.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The InChIKey is JKHCHRQTXKMSBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-9-4-2-3-5-11(9)20-12(8)13(17)15-10(6-7-16)14(18)19/h2-5,10,16H,6-7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.31, 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-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).