2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid

C18H19NO4 — CID 67917348

IUPAC2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-18(16(20)21,15-11-7-4-8-12-15)19(2)17(22)23-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyIUBCZTAXBKUPPN-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.26
Rot. Bonds5

About 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid

2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid (PubChem CID 67917348) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
PubChem CID67917348
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-18(16(20)21,15-11-7-4-8-12-15)19(2)17(22)23-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyIUBCZTAXBKUPPN-UHFFFAOYSA-N
XLogP3.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic 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(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
(2R)-2,3-ditert-butyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 22866084
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
CID 70611744
(2S)-2-(dimethylamino)-2-methyl-3-oxo-3-phenylmethoxypropanoic acid
CID 67327544
2-[phenylmethoxycarbonyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 113235778

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid (CID 67917348) is 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid is CN(C(=O)OCc1ccccc1)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is IUBCZTAXBKUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(16(20)21,15-11-7-4-8-12-15)19(2)17(22)23-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid?
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 67917348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).