2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

C13H18N2O3 — CID 61265938

IUPAC2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCN(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,11(16)17)14-12(18)15(3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyINJIGRLEBBTPRL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61265938) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID61265938
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCN(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,11(16)17)14-12(18)15(3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyINJIGRLEBBTPRL-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic 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

2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
3-amino-1-benzyl-1-methylurea
CID 43163959
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
CID 119192368
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 114264076
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
2,2-dimethyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 115428500
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (CID 61265938) is 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is CN(Cc1ccccc1)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is INJIGRLEBBTPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,11(16)17)14-12(18)15(3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61265938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).