2-[bis(phenylmethoxycarbonyl)amino]propanoic acid

C19H19NO6 — CID 18466015

IUPAC2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO6/c1-14(17(21)22)20(18(23)25-12-15-8-4-2-5-9-15)19(24)26-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22)
InChIKeyXTNOQEZDRVOMCO-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.44
Rot. Bonds6

About 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid

2-[bis(phenylmethoxycarbonyl)amino]propanoic acid (PubChem CID 18466015) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
PubChem CID18466015
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO6/c1-14(17(21)22)20(18(23)25-12-15-8-4-2-5-9-15)19(24)26-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22)
InChIKeyXTNOQEZDRVOMCO-UHFFFAOYSA-N
XLogP3.44
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[bis(phenylmethoxycarbonyl)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

(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
(2S)-2-[(2-methylpropan-2-yl)oxymethyl-phenylmethoxycarbonylamino]propanoic acid
CID 70094016
benzyl N,N-dimethylcarbamate
CID 12963450
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
(2S)-2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoic acid
CID 18638332
(2S)-2-[[(2S)-2-aminopropanoyl]-phenylmethoxycarbonylamino]-3-chloropropanoic acid
CID 70558855
benzyl N-(2-amino-3,3-dimethylbutanoyl)-N-[(1S)-1-phenylethyl]carbamate
CID 57133848
2-[(2-bromophenyl)methyl-phenylmethoxycarbonylamino]propanoic acid
CID 172808051
benzyl N-[(2S)-2-aminopropanoyl]-N-[(2S)-1-oxopropan-2-yl]carbamate
CID 22853810
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
(2S)-2-[3-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-hydroxyacetic acid
CID 22820845

Frequently Asked Questions

What is the IUPAC name of 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid?
The IUPAC name of 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid (CID 18466015) is 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid?
The InChIKey is XTNOQEZDRVOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-14(17(21)22)20(18(23)25-12-15-8-4-2-5-9-15)19(24)26-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid?
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid has a molecular weight of 357.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phenylmethoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 18466015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).