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

C8H10NO3PS — CID 130397659

IUPAC2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid
SMILESO=C(O)CNP(O)(=S)c1ccccc1
InChIInChI=1S/C8H10NO3PS/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,14)
InChIKeyUZCOSSMXAPKTSN-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.29
Rot. Bonds4

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

2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid (PubChem CID 130397659) has the molecular formula C8H10NO3PS and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid
PubChem CID130397659
Molecular FormulaC8H10NO3PS
Molecular Weight231.21 g/mol
Exact Mass231.01
IUPAC Name2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid
SMILESO=C(O)CNP(O)(=S)c1ccccc1
InChIInChI=1S/C8H10NO3PS/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,14)
InChIKeyUZCOSSMXAPKTSN-UHFFFAOYSA-N
XLogP0.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Lithium (phenylsulfidophosphoryl)glycinate
CID 161233886
dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate
CID 162651275
2-(Phenylsulfanylamino)acetic acid
CID 53976589
Diphenylphosphinoglycine
CID 69729690
alpha-Diphenylphosphinoglycine
CID 146170624
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]propanoic acid
CID 162651276
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-3-methylbutanoic acid
CID 162652493
2-[[Hydroxy(phenyl)phosphoryl]methylamino]acetic acid
CID 12755249
2-(Diphenylphosphinothioylamino)acetic acid
CID 13241809
2-Aminopropanoic acid;benzene
CID 18362175
2-Aminoacetic acid;benzene
CID 23325133
2-(Diphenylphosphorylamino)acetic acid;praseodymium
CID 59318219

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid?
The IUPAC name of 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid (CID 130397659) is 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid.
What is the SMILES notation for 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid?
The canonical SMILES for 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid is O=C(O)CNP(O)(=S)c1ccccc1.
What is the InChIKey of 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid?
The InChIKey is UZCOSSMXAPKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO3PS/c10-8(11)6-9-13(12,14)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H2,9,12,14).
What are the key properties of 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid?
2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid has a molecular weight of 231.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(phenyl)phosphinothioyl]amino]acetic acid is sourced from PubChem (CID 130397659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).