(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid

C9H14NO6P — CID 69256831

IUPAC(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C9H11NO2.H3O4P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6,10H2,(H,11,12);(H3,1,2,3,4)/t8-;/m0./s1
InChIKeyLENNZWPGZUQFEU-QRPNPIFTSA-N
MW263.19 g/mol
LogP-0.29
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid

(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid (PubChem CID 69256831) has the molecular formula C9H14NO6P and a molecular weight of 263.19 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
PubChem CID69256831
Molecular FormulaC9H14NO6P
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C9H11NO2.H3O4P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6,10H2,(H,11,12);(H3,1,2,3,4)/t8-;/m0./s1
InChIKeyLENNZWPGZUQFEU-QRPNPIFTSA-N
XLogP-0.29
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
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;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(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;phosphoric acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid (CID 69256831) is (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid is N[C@@H](Cc1ccccc1)C(=O)O.O=P(O)(O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid?
The InChIKey is LENNZWPGZUQFEU-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.H3O4P/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6,10H2,(H,11,12);(H3,1,2,3,4)/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid?
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid has a molecular weight of 263.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;phosphoric acid is sourced from PubChem (CID 69256831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).