[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate

C12H16NO4P — CID 130211088

IUPAC[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate
SMILESC[C@H](OC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP
InChIInChI=1S/C12H16NO4P/c1-8(11(14)17-18)16-12(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13,18H2,1H3/t8-,10-/m0/s1
InChIKeyOLCWHZPBPUJPNG-WPRPVWTQSA-N
MW269.24 g/mol
LogP0.82
Rot. Bonds5

About [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate

[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate (PubChem CID 130211088) has the molecular formula C12H16NO4P and a molecular weight of 269.24 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate
PubChem CID130211088
Molecular FormulaC12H16NO4P
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate
SMILESC[C@H](OC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP
InChIInChI=1S/C12H16NO4P/c1-8(11(14)17-18)16-12(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13,18H2,1H3/t8-,10-/m0/s1
InChIKeyOLCWHZPBPUJPNG-WPRPVWTQSA-N
XLogP0.82
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate 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

4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
1-phenylethyl (2R)-2-amino-3-phenylpropanoate
CID 104902256
dichloromethyl (2S)-2-amino-3-phenylpropanoate
CID 174842836
2-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-phenylacetic acid
CID 122589190
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
CID 175525029
CID 175525029
2-hydroxypropanoyl 2-amino-3-phenylpropaneperoxoate;hydrochloride
CID 141457481
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
CID 124629701

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate (CID 130211088) is [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate is C[C@H](OC(=O)[C@@H](N)Cc1ccccc1)C(=O)OP.
What is the InChIKey of [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate?
The InChIKey is OLCWHZPBPUJPNG-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H16NO4P/c1-8(11(14)17-18)16-12(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13,18H2,1H3/t8-,10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate?
[(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate has a molecular weight of 269.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phosphanyloxypropan-2-yl] (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 130211088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).