[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate

C13H19N2O8P — CID 20979545

IUPAC[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OP(=O)(OCc1ccccc1)OC(=O)C(N)CO
InChIInChI=1S/C13H19N2O8P/c14-10(6-16)12(18)22-24(20,23-13(19)11(15)7-17)21-8-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8,14-15H2
InChIKeyHRYNSBOXRQGUEI-UHFFFAOYSA-N
MW362.28 g/mol
LogP-0.96
Rot. Bonds9

About [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate

[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate (PubChem CID 20979545) has the molecular formula C13H19N2O8P and a molecular weight of 362.28 g/mol. Its IUPAC name is [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate
PubChem CID20979545
Molecular FormulaC13H19N2O8P
Molecular Weight362.28 g/mol
Exact Mass362.09
IUPAC Name[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OP(=O)(OCc1ccccc1)OC(=O)C(N)CO
InChIInChI=1S/C13H19N2O8P/c14-10(6-16)12(18)22-24(20,23-13(19)11(15)7-17)21-8-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8,14-15H2
InChIKeyHRYNSBOXRQGUEI-UHFFFAOYSA-N
XLogP-0.96
TPSA171.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate 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

benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
CID 174953315
benzenesulfonic acid;benzyl 2-amino-3-hydroxypropanoate
CID 13191980
dibenzyl 3-hydroxypropyl phosphate
CID 86064803
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[(2S)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid;[(2R)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid
CID 175759924
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 59169038

Frequently Asked Questions

What is the IUPAC name of [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate?
The IUPAC name of [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate (CID 20979545) is [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate.
What is the SMILES notation for [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate?
The canonical SMILES for [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate is NC(CO)C(=O)OP(=O)(OCc1ccccc1)OC(=O)C(N)CO.
What is the InChIKey of [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate?
The InChIKey is HRYNSBOXRQGUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O8P/c14-10(6-16)12(18)22-24(20,23-13(19)11(15)7-17)21-8-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8,14-15H2.
What are the key properties of [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate?
[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate has a molecular weight of 362.28 g/mol, XLogP of -0.96, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 20979545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).