2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid

C15H20N2O3 — CID 61185121

IUPAC2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
SMILESCC(C)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-15(20)17(9-14(18)19)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySBDXMJPKJZANDW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.89
Rot. Bonds5

About 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid (PubChem CID 61185121) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
PubChem CID61185121
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
SMILESCC(C)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-15(20)17(9-14(18)19)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySBDXMJPKJZANDW-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]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

2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
methyl 3-[cyclohexyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42697074
1-cyclopropyl-1-[2-oxo-2-(4-phenyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 42752569
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
3-[[4-[[(4-tert-butylcyclohexyl)-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl]methylamino]propanoic acid
CID 68909002
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid (CID 61185121) is 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid is CC(C)c1ccc(NC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is SBDXMJPKJZANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)11-3-5-12(6-4-11)16-15(20)17(9-14(18)19)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61185121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).