2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid

C11H15N3O3 — CID 127568642

IUPAC2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1ccc(NC(=O)NC(C)C(=O)O)c(N)c1
InChIInChI=1S/C11H15N3O3/c1-6-3-4-9(8(12)5-6)14-11(17)13-7(2)10(15)16/h3-5,7H,12H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyUZOROWLXRCVSSD-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.17
Rot. Bonds3

About 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid

2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid (PubChem CID 127568642) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
PubChem CID127568642
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
SMILESCc1ccc(NC(=O)NC(C)C(=O)O)c(N)c1
InChIInChI=1S/C11H15N3O3/c1-6-3-4-9(8(12)5-6)14-11(17)13-7(2)10(15)16/h3-5,7H,12H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyUZOROWLXRCVSSD-UHFFFAOYSA-N
XLogP1.17
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
(2R)-2-[(2,4,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 78917560
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676
5-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465534
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
N-(2-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099409

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid (CID 127568642) is 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid is Cc1ccc(NC(=O)NC(C)C(=O)O)c(N)c1.
What is the InChIKey of 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid?
The InChIKey is UZOROWLXRCVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-3-4-9(8(12)5-6)14-11(17)13-7(2)10(15)16/h3-5,7H,12H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid?
2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 127568642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).