(2S)-2-amino-2-phenyl-2-phosphonoacetic acid

C8H10NO5P — CID 134841793

IUPAC(2S)-2-amino-2-phenyl-2-phosphonoacetic acid
SMILESN[C@@](C(=O)O)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C8H10NO5P/c9-8(7(10)11,15(12,13)14)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,11)(H2,12,13,14)/t8-/m0/s1
InChIKeyWYXXIGINMNATGU-QMMMGPOBSA-N
MW231.14 g/mol
LogP0.06
Rot. Bonds3

About (2S)-2-amino-2-phenyl-2-phosphonoacetic acid

(2S)-2-amino-2-phenyl-2-phosphonoacetic acid (PubChem CID 134841793) has the molecular formula C8H10NO5P and a molecular weight of 231.14 g/mol. Its IUPAC name is (2S)-2-amino-2-phenyl-2-phosphonoacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-phenyl-2-phosphonoacetic acid
PubChem CID134841793
Molecular FormulaC8H10NO5P
Molecular Weight231.14 g/mol
Exact Mass231.03
IUPAC Name(2S)-2-amino-2-phenyl-2-phosphonoacetic acid
SMILESN[C@@](C(=O)O)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C8H10NO5P/c9-8(7(10)11,15(12,13)14)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,11)(H2,12,13,14)/t8-/m0/s1
InChIKeyWYXXIGINMNATGU-QMMMGPOBSA-N
XLogP0.06
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
CID 154061892
[(1S)-1-chloro-1-phenylethyl]phosphonic acid
CID 129361633
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
2-amino-2-phenyl-3-sulfanylpropanoic acid
CID 22619315
3-amino-3-phenylpentane-2,4-dione
CID 70119036
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
2-phenyl-2,4-diphosphonopentanedioic acid
CID 21464953
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
CID 70349078
magnesium;diphenylmethanediamine;hydride;hydrate
CID 174948742
3,3-diphenylpentanediamide
CID 141227643

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenyl-2-phosphonoacetic acid?
The IUPAC name of (2S)-2-amino-2-phenyl-2-phosphonoacetic acid (CID 134841793) is (2S)-2-amino-2-phenyl-2-phosphonoacetic acid.
What is the SMILES notation for (2S)-2-amino-2-phenyl-2-phosphonoacetic acid?
The canonical SMILES for (2S)-2-amino-2-phenyl-2-phosphonoacetic acid is N[C@@](C(=O)O)(c1ccccc1)P(=O)(O)O.
What is the InChIKey of (2S)-2-amino-2-phenyl-2-phosphonoacetic acid?
The InChIKey is WYXXIGINMNATGU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10NO5P/c9-8(7(10)11,15(12,13)14)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,11)(H2,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-phenyl-2-phosphonoacetic acid?
(2S)-2-amino-2-phenyl-2-phosphonoacetic acid has a molecular weight of 231.14 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenyl-2-phosphonoacetic acid is sourced from PubChem (CID 134841793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).