2-phenyl-2-(phosphonomethylamino)propanoic acid

C10H14NO5P — CID 69433519

IUPAC2-phenyl-2-(phosphonomethylamino)propanoic acid
SMILESCC(NCP(=O)(O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H14NO5P/c1-10(9(12)13,11-7-17(14,15)16)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeySXJWYAARUFXVFX-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.71
Rot. Bonds5

About 2-phenyl-2-(phosphonomethylamino)propanoic acid

2-phenyl-2-(phosphonomethylamino)propanoic acid (PubChem CID 69433519) has the molecular formula C10H14NO5P and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-phenyl-2-(phosphonomethylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(phosphonomethylamino)propanoic acid
PubChem CID69433519
Molecular FormulaC10H14NO5P
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name2-phenyl-2-(phosphonomethylamino)propanoic acid
SMILESCC(NCP(=O)(O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H14NO5P/c1-10(9(12)13,11-7-17(14,15)16)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3,(H,12,13)(H2,14,15,16)
InChIKeySXJWYAARUFXVFX-UHFFFAOYSA-N
XLogP0.71
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-2-(phosphonomethylamino)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

(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(phosphonomethylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(phosphonomethylamino)propanoic acid (CID 69433519) is 2-phenyl-2-(phosphonomethylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(phosphonomethylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(phosphonomethylamino)propanoic acid is CC(NCP(=O)(O)O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(phosphonomethylamino)propanoic acid?
The InChIKey is SXJWYAARUFXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5P/c1-10(9(12)13,11-7-17(14,15)16)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3,(H,12,13)(H2,14,15,16).
What are the key properties of 2-phenyl-2-(phosphonomethylamino)propanoic acid?
2-phenyl-2-(phosphonomethylamino)propanoic acid has a molecular weight of 259.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(phosphonomethylamino)propanoic acid is sourced from PubChem (CID 69433519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).