2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid

C14H20N2O3 — CID 61265165

IUPAC2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
SMILESCCCc1ccc(NC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-5-10-6-8-11(9-7-10)15-13(19)16-14(2,3)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKDYXLLROFJIOMS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid

2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid (PubChem CID 61265165) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
PubChem CID61265165
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
SMILESCCCc1ccc(NC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-5-10-6-8-11(9-7-10)15-13(19)16-14(2,3)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKDYXLLROFJIOMS-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic 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-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
CID 82224505
2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanoic acid
CID 61263044
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
2-[4-(3-methylpentan-3-ylcarbamoylamino)phenyl]acetic acid
CID 106330639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid (CID 61265165) is 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid is CCCc1ccc(NC(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid?
The InChIKey is KDYXLLROFJIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-10-6-8-11(9-7-10)15-13(19)16-14(2,3)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid?
2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61265165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).