2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H13N3O4 — CID 54868238

IUPAC2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)Nc1ccc(NC(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C12H13N3O4/c13-12(19)15-7-3-1-6(2-4-7)14-10(16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,14,16)(H,17,18)(H3,13,15,19)
InChIKeyNEYANQSMICFRBV-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.84
Rot. Bonds4

About 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868238) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868238
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)Nc1ccc(NC(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C12H13N3O4/c13-12(19)15-7-3-1-6(2-4-7)14-10(16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,14,16)(H,17,18)(H3,13,15,19)
InChIKeyNEYANQSMICFRBV-UHFFFAOYSA-N
XLogP0.84
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic 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

cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941101
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
2-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185309
2-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941581
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54868238) is 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is NC(=O)Nc1ccc(NC(=O)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is NEYANQSMICFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-12(19)15-7-3-1-6(2-4-7)14-10(16)8-5-9(8)11(17)18/h1-4,8-9H,5H2,(H,14,16)(H,17,18)(H3,13,15,19).
What are the key properties of 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).