(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide

C14H23N2O4P — CID 149250728

IUPAC(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
SMILESCCOP(=O)(CNC(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C14H23N2O4P/c1-3-19-21(18,20-4-2)11-16-14(17)13(15)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyYWSLZLAUGSTFIX-ZDUSSCGKSA-N
MW314.32 g/mol
LogP1.90
Rot. Bonds9

About (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide

(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide (PubChem CID 149250728) has the molecular formula C14H23N2O4P and a molecular weight of 314.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
PubChem CID149250728
Molecular FormulaC14H23N2O4P
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
SMILESCCOP(=O)(CNC(=O)[C@@H](N)Cc1ccccc1)OCC
InChIInChI=1S/C14H23N2O4P/c1-3-19-21(18,20-4-2)11-16-14(17)13(15)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyYWSLZLAUGSTFIX-ZDUSSCGKSA-N
XLogP1.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
2-amino-N-decyl-3-phenylpropanamide
CID 122423651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide (CID 149250728) is (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide is CCOP(=O)(CNC(=O)[C@@H](N)Cc1ccccc1)OCC.
What is the InChIKey of (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide?
The InChIKey is YWSLZLAUGSTFIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N2O4P/c1-3-19-21(18,20-4-2)11-16-14(17)13(15)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,15H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide has a molecular weight of 314.32 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 149250728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).