4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid

C14H17NO4 — CID 119165465

IUPAC4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
SMILESCCOC1CC1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-2-19-12-7-11(12)13(16)15-8-9-3-5-10(6-4-9)14(17)18/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPHZTBJVJCVVND-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds6

About 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid

4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid (PubChem CID 119165465) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
PubChem CID119165465
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
SMILESCCOC1CC1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-2-19-12-7-11(12)13(16)15-8-9-3-5-10(6-4-9)14(17)18/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPHZTBJVJCVVND-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]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

4-[[2-(3-ethoxycyclobutyl)ethylcarbamoylamino]methyl]benzoic acid
CID 122011469
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
2-[4-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 125133879
4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 119353292
2-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232045
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
cis-(1S,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 98763479
trans-(1R,2R)-N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-ethoxycyclopropane-1-carboxamide
CID 95590887
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid (CID 119165465) is 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid is CCOC1CC1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid?
The InChIKey is OPHZTBJVJCVVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-19-12-7-11(12)13(16)15-8-9-3-5-10(6-4-9)14(17)18/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid?
4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 119165465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).