2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid

C14H17NO5 — CID 60826114

IUPAC2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1ccc(OC)c(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-19-10-5-6-12(20-2)11(7-10)14(18)15(8-13(16)17)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMXFRQWSZZSANB-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds6

About 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid

2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid (PubChem CID 60826114) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
PubChem CID60826114
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1ccc(OC)c(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-19-10-5-6-12(20-2)11(7-10)14(18)15(8-13(16)17)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMXFRQWSZZSANB-UHFFFAOYSA-N
XLogP1.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic 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-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
2-[cyclopropyl-(2-methoxy-5-nitrobenzoyl)amino]acetic acid
CID 60826876
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid (CID 60826114) is 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid is COc1ccc(OC)c(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid?
The InChIKey is JMXFRQWSZZSANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-10-5-6-12(20-2)11(7-10)14(18)15(8-13(16)17)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid?
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 60826114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).