4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid

C4H8NO4PS — CID 173247220

IUPAC4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid
SMILESNP(O)(=S)OCC=CC(=O)O
InChIInChI=1S/C4H8NO4PS/c5-10(8,11)9-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)(H3,5,8,11)
InChIKeyYMACIWFNGJYUPF-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.18
Rot. Bonds4

About 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid

4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid (PubChem CID 173247220) has the molecular formula C4H8NO4PS and a molecular weight of 197.15 g/mol. Its IUPAC name is 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid.

Molecular Properties

Compound Name4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid
PubChem CID173247220
Molecular FormulaC4H8NO4PS
Molecular Weight197.15 g/mol
Exact Mass196.99
IUPAC Name4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid
SMILESNP(O)(=S)OCC=CC(=O)O
InChIInChI=1S/C4H8NO4PS/c5-10(8,11)9-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)(H3,5,8,11)
InChIKeyYMACIWFNGJYUPF-UHFFFAOYSA-N
XLogP-0.18
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-hydroperoxybut-2-enoic acid
CID 54116733
5-phosphonooxypent-2-enoic acid
CID 87373940
(E)-4-(fluoromethoxy)but-2-enoic acid
CID 140934870
hepta-2,5-dienedioic acid
CID 74058962
4-but-3-enoyloxybut-2-enoic acid
CID 123546814
(E)-4-(1,1,2,2-tetrafluoroethoxy)but-2-enoic acid
CID 162455178
4-[3-(3-carboxyprop-2-enoxy)-2-hydroxypropoxy]but-2-enoic acid
CID 161121292
5-aminooxypent-2-enoic acid
CID 57274484
4-cyclobutyloxybut-2-enoic acid
CID 76940507
(E)-pent-2-enoic acid
CID 638122
pent-2-enedioic acid
CID 87399612
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753

Frequently Asked Questions

What is the IUPAC name of 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid?
The IUPAC name of 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid (CID 173247220) is 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid.
What is the SMILES notation for 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid?
The canonical SMILES for 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid is NP(O)(=S)OCC=CC(=O)O.
What is the InChIKey of 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid?
The InChIKey is YMACIWFNGJYUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO4PS/c5-10(8,11)9-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)(H3,5,8,11).
What are the key properties of 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid?
4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid has a molecular weight of 197.15 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(hydroxy)phosphinothioyl]oxybut-2-enoic acid is sourced from PubChem (CID 173247220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).