2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid

C13H18N2O3 — CID 61008181

IUPAC2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-3-7-15(9-12(16)17)13(18)14-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyBOPHOCFBTAFKIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.32
Rot. Bonds5

About 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid

2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid (PubChem CID 61008181) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
PubChem CID61008181
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-3-7-15(9-12(16)17)13(18)14-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyBOPHOCFBTAFKIV-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-methylphenyl)carbamoyl-propylamino]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-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
CID 143509551
2-[(4-bromo-3-fluorophenyl)carbamoyl-propylamino]acetic acid
CID 65437389
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid (CID 61008181) is 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid?
The InChIKey is BOPHOCFBTAFKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-7-15(9-12(16)17)13(18)14-11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid?
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 61008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).