2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid

C14H20N2O3 — CID 62671339

IUPAC2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1cccc(CN(C)C(=O)NCC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)9-16(3)14(19)15-8-11(2)13(17)18/h4-7,11H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLLFZZPMELZHKEE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.86
Rot. Bonds5

About 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid

2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 62671339) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
PubChem CID62671339
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
SMILESCc1cccc(CN(C)C(=O)NCC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)9-16(3)14(19)15-8-11(2)13(17)18/h4-7,11H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLLFZZPMELZHKEE-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]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

3-methyl-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 81069552
3-[[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81066467
3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 103158759
3-methyl-2-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 61411634
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
2,2-dimethyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 115428500
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
5-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid (CID 62671339) is 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid is Cc1cccc(CN(C)C(=O)NCC(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is LLFZZPMELZHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)9-16(3)14(19)15-8-11(2)13(17)18/h4-7,11H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid?
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62671339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).