2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid

C11H14NO5PS — CID 67381769

IUPAC2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(O)(=S)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14NO5PS/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19)
InChIKeyLAKZHFMZHNJDKO-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.52
Rot. Bonds7

About 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid

2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid (PubChem CID 67381769) has the molecular formula C11H14NO5PS and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
PubChem CID67381769
Molecular FormulaC11H14NO5PS
Molecular Weight303.28 g/mol
Exact Mass303.03
IUPAC Name2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(O)(=S)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14NO5PS/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19)
InChIKeyLAKZHFMZHNJDKO-UHFFFAOYSA-N
XLogP0.52
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.52
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-{[hydroxy(phenyl)phosphoryl]amino}pentanedioic acid
CID 44285112
trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
CID 10829566
(2S)-2-[[methoxy(phenyl)phosphoryl]amino]pentanedioic acid
CID 10063415
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
CID 10086312
2-[[(4-Fluorophenyl)methyl-hydroxyphosphoryl]amino]pentanedioic acid
CID 18403139
2-[[(4-Fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid
CID 18403149
2-[[(2-Fluorophenyl)methyl-hydroxyphosphoryl]amino]pentanedioic acid
CID 18403158
2-[[Hydroxy-[3-(trifluoromethyl)phenyl]phosphoryl]amino]pentanedioic acid
CID 85762306
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-4-methylpentanoic acid
CID 162645497
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]propanoic acid
CID 162651276
(2S,3S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-3-methylpentanoic acid
CID 162657563
2-[[Benzyl(hydroxy)phosphoryl]amino]pentanedioic acid
CID 9926377

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The IUPAC name of 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid (CID 67381769) is 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid is O=C(O)CCC(NP(O)(=S)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The InChIKey is LAKZHFMZHNJDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO5PS/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19).
What are the key properties of 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid has a molecular weight of 303.28 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid is sourced from PubChem (CID 67381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).