2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid

C13H18N2O3 — CID 61187462

IUPAC2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10(12(16)17)14-13(18)15-11-6-5-8(2)7-9(11)3/h5-7,10H,4H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyLJHAFFHYHSLKLQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.29
Rot. Bonds4

About 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid

2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid (PubChem CID 61187462) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
PubChem CID61187462
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)Nc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10(12(16)17)14-13(18)15-11-6-5-8(2)7-9(11)3/h5-7,10H,4H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyLJHAFFHYHSLKLQ-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic 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

(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
(2S)-2-[(5-iodo-2-methylphenyl)carbamoylamino]butanoic acid
CID 114257728
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
(2R)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80756077
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid (CID 61187462) is 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid is CCC(NC(=O)Nc1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid?
The InChIKey is LJHAFFHYHSLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10(12(16)17)14-13(18)15-11-6-5-8(2)7-9(11)3/h5-7,10H,4H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid?
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61187462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).