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

C11H14NO5PS — CID 10086312

IUPAC(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](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)/t9-,18?/m0/s1
InChIKeyLAKZHFMZHNJDKO-JUGYALQGSA-N
MW303.28 g/mol
LogP0.52
Rot. Bonds7

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

(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid (PubChem CID 10086312) has the molecular formula C11H14NO5PS and a molecular weight of 303.28 g/mol. Its IUPAC name is (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
PubChem CID10086312
Molecular FormulaC11H14NO5PS
Molecular Weight303.28 g/mol
Exact Mass303.03
IUPAC Name(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](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)/t9-,18?/m0/s1
InChIKeyLAKZHFMZHNJDKO-JUGYALQGSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid (CID 10086312) is (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid is O=C(O)CC[C@H](NP(O)(=S)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
The InChIKey is LAKZHFMZHNJDKO-JUGYALQGSA-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)/t9-,18?/m0/s1.
What are the key properties of (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid?
(2S)-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 (2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]pentanedioic acid is sourced from PubChem (CID 10086312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).