2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

C13H15NO4 — CID 7248012

IUPAC2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESCc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)O
InChIInChI=1S/C13H15NO4/c1-8-9(13(16)17)4-2-5-10(8)14-12(15)11-6-3-7-18-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyBRKAIKMVNULTPQ-LLVKDONJSA-N
MW249.27 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (PubChem CID 7248012) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
PubChem CID7248012
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESCc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)O
InChIInChI=1S/C13H15NO4/c1-8-9(13(16)17)4-2-5-10(8)14-12(15)11-6-3-7-18-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyBRKAIKMVNULTPQ-LLVKDONJSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic 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

N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
3-chloro-2-(oxolane-2-carbonylamino)benzoic acid
CID 90792803
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (CID 7248012) is 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The InChIKey is BRKAIKMVNULTPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-9(13(16)17)4-2-5-10(8)14-12(15)11-6-3-7-18-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,16,17)/t11-/m1/s1.
What are the key properties of 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 7248012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).