2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid

C20H21NO4 — CID 124688311

IUPAC2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C20H21NO4/c1-12-5-3-4-6-14(12)15-10-16(15)19(22)21-11-13-7-8-18(25-2)17(9-13)20(23)24/h3-9,15-16H,10-11H2,1-2H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1
InChIKeyMEUMKGODRXREGU-CVEARBPZSA-N
MW339.39 g/mol
LogP3.12
Rot. Bonds6

About 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid

2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid (PubChem CID 124688311) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid
PubChem CID124688311
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C20H21NO4/c1-12-5-3-4-6-14(12)15-10-16(15)19(22)21-11-13-7-8-18(25-2)17(9-13)20(23)24/h3-9,15-16H,10-11H2,1-2H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1
InChIKeyMEUMKGODRXREGU-CVEARBPZSA-N
XLogP3.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

5-[[[(1S,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688324
5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305
5-[[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688322
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688195
4-[[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688196
4-[[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688125
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 125149392
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid (CID 124688311) is 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid is COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid?
The InChIKey is MEUMKGODRXREGU-CVEARBPZSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-5-3-4-6-14(12)15-10-16(15)19(22)21-11-13-7-8-18(25-2)17(9-13)20(23)24/h3-9,15-16H,10-11H2,1-2H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1.
What are the key properties of 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid?
2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid has a molecular weight of 339.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 124688311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).