1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid

C11H17N2O3P — CID 22811613

IUPAC1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)P(O)O
InChIInChI=1S/C11H17N2O3P/c1-8(17(15)16)13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,8,10,15-16H,7,12H2,1H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyLPJKHXAZUCNDDV-HTLJXXAVSA-N
MW256.24 g/mol
LogP0.32
Rot. Bonds5

About 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid

1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid (PubChem CID 22811613) has the molecular formula C11H17N2O3P and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid.

Molecular Properties

Compound Name1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
PubChem CID22811613
Molecular FormulaC11H17N2O3P
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)P(O)O
InChIInChI=1S/C11H17N2O3P/c1-8(17(15)16)13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,8,10,15-16H,7,12H2,1H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyLPJKHXAZUCNDDV-HTLJXXAVSA-N
XLogP0.32
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 11771430
(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
CID 119327513
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid?
The IUPAC name of 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid (CID 22811613) is 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid.
What is the SMILES notation for 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid?
The canonical SMILES for 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid is CC(NC(=O)[C@@H](N)Cc1ccccc1)P(O)O.
What is the InChIKey of 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid?
The InChIKey is LPJKHXAZUCNDDV-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H17N2O3P/c1-8(17(15)16)13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,8,10,15-16H,7,12H2,1H3,(H,13,14)/t8?,10-/m0/s1.
What are the key properties of 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid?
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid has a molecular weight of 256.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid is sourced from PubChem (CID 22811613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).