(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium

C9H13NO5P+ — CID 159490168

IUPAC(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=[P+](O)O
InChIInChI=1S/C9H11NO2.HO3P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6,10H2,(H,11,12);(H-,1,2,3)/p+1/t8-;/m0./s1
InChIKeyGKGCZONBOKHJJF-QRPNPIFTSA-O
MW246.18 g/mol
LogP0.27
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium

(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium (PubChem CID 159490168) has the molecular formula C9H13NO5P+ and a molecular weight of 246.18 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
PubChem CID159490168
Molecular FormulaC9H13NO5P+
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=[P+](O)O
InChIInChI=1S/C9H11NO2.HO3P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6,10H2,(H,11,12);(H-,1,2,3)/p+1/t8-;/m0./s1
InChIKeyGKGCZONBOKHJJF-QRPNPIFTSA-O
XLogP0.27
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.27
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

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium (CID 159490168) is (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium is N[C@@H](Cc1ccccc1)C(=O)O.O=[P+](O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium?
The InChIKey is GKGCZONBOKHJJF-QRPNPIFTSA-O. The full InChI is InChI=1S/C9H11NO2.HO3P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3/h1-5,8H,6,10H2,(H,11,12);(H-,1,2,3)/p+1/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium?
(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium has a molecular weight of 246.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 159490168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).