4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid

C14H18N2O3 — CID 61196555

IUPAC4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCCN(C(=O)Nc1ccc(C(=O)O)cc1C)C1CC1
InChIInChI=1S/C14H18N2O3/c1-3-16(11-5-6-11)14(19)15-12-7-4-10(13(17)18)8-9(12)2/h4,7-8,11H,3,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQIRLQOBCKDGQNS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.71
Rot. Bonds4

About 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid

4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid (PubChem CID 61196555) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
PubChem CID61196555
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCCN(C(=O)Nc1ccc(C(=O)O)cc1C)C1CC1
InChIInChI=1S/C14H18N2O3/c1-3-16(11-5-6-11)14(19)15-12-7-4-10(13(17)18)8-9(12)2/h4,7-8,11H,3,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQIRLQOBCKDGQNS-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic 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-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61184350
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742596
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methylbenzoic acid
CID 61198060
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid (CID 61196555) is 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid is CCN(C(=O)Nc1ccc(C(=O)O)cc1C)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid?
The InChIKey is QIRLQOBCKDGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-16(11-5-6-11)14(19)15-12-7-4-10(13(17)18)8-9(12)2/h4,7-8,11H,3,5-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid?
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 61196555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).