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

C14H18N2O3 — CID 54978482

IUPAC2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(C)c(NC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9-3-4-10(2)12(7-9)15-14(19)16(8-13(17)18)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXEXIMKFMVRNRU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.38
Rot. Bonds4

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

2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 54978482) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID54978482
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(C)c(NC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9-3-4-10(2)12(7-9)15-14(19)16(8-13(17)18)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNXEXIMKFMVRNRU-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl-[(2,5-dimethylphenyl)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

1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
CID 47031749
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid (CID 54978482) is 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid is Cc1ccc(C)c(NC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is NXEXIMKFMVRNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-4-10(2)12(7-9)15-14(19)16(8-13(17)18)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54978482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).