2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane

C9H15NO6P2 — CID 174881323

IUPAC2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane
SMILESNC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O.P
InChIInChI=1S/C9H12NO6P.H3P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15;/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15);1H3
InChIKeyCWGHDUHQHXJZCT-UHFFFAOYSA-N
MW295.17 g/mol
LogP0.17
Rot. Bonds5

About 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane

2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane (PubChem CID 174881323) has the molecular formula C9H15NO6P2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane.

Molecular Properties

Compound Name2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane
PubChem CID174881323
Molecular FormulaC9H15NO6P2
Molecular Weight295.17 g/mol
Exact Mass295.04
IUPAC Name2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane
SMILESNC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O.P
InChIInChI=1S/C9H12NO6P.H3P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15;/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15);1H3
InChIKeyCWGHDUHQHXJZCT-UHFFFAOYSA-N
XLogP0.17
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 50.17
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

(2S)-2-amino-3-[4-[hydroxy(methyl)phosphoryl]oxyphenyl]propanoic acid
CID 141175288
(2S)-2-amino-4-(4-phosphonooxyphenyl)butanoic acid
CID 163481333
(2S)-2-amino-3-[4-(diphosphonomethyl)phenyl]propanoic acid
CID 101096642
[4-(2,3-diamino-3-oxopropyl)phenyl] hydrogen phosphate
CID 59010907
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
(2S)-2-(fluoroamino)-3-(4-phosphonooxyphenyl)propanoic acid
CID 54033504
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-(phosphonomethyl)phenyl]propanoic acid;hydrochloride
CID 14102034
[4-(3-amino-2-methyl-3-oxopropyl)phenyl] dihydrogen phosphate
CID 58672481
(2S)-2-amino-3-[4-(2-phosphonoethyl)phenyl]propanoic acid
CID 54162396
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid
CID 162451282
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane?
The IUPAC name of 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane (CID 174881323) is 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane.
What is the SMILES notation for 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane?
The canonical SMILES for 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane is NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O.P.
What is the InChIKey of 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane?
The InChIKey is CWGHDUHQHXJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO6P.H3P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15;/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15);1H3.
What are the key properties of 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane?
2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane has a molecular weight of 295.17 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane is sourced from PubChem (CID 174881323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).