4-phosphorosobutanoic acid

C4H7O3P — CID 21297695

IUPAC4-phosphorosobutanoic acid
SMILESO=PCCCC(=O)O
InChIInChI=1S/C4H7O3P/c5-4(6)2-1-3-8-7/h1-3H2,(H,5,6)
InChIKeyGQKFQQGOYNFNHJ-UHFFFAOYSA-N
MW134.07 g/mol
LogP1.14
Rot. Bonds4

About 4-phosphorosobutanoic acid

4-phosphorosobutanoic acid (PubChem CID 21297695) has the molecular formula C4H7O3P and a molecular weight of 134.07 g/mol. Its IUPAC name is 4-phosphorosobutanoic acid.

Molecular Properties

Compound Name4-phosphorosobutanoic acid
PubChem CID21297695
Molecular FormulaC4H7O3P
Molecular Weight134.07 g/mol
Exact Mass134.01
IUPAC Name4-phosphorosobutanoic acid
SMILESO=PCCCC(=O)O
InChIInChI=1S/C4H7O3P/c5-4(6)2-1-3-8-7/h1-3H2,(H,5,6)
InChIKeyGQKFQQGOYNFNHJ-UHFFFAOYSA-N
XLogP1.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.07
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phosphorosobutanoic acid?
The IUPAC name of 4-phosphorosobutanoic acid (CID 21297695) is 4-phosphorosobutanoic acid.
What is the SMILES notation for 4-phosphorosobutanoic acid?
The canonical SMILES for 4-phosphorosobutanoic acid is O=PCCCC(=O)O.
What is the InChIKey of 4-phosphorosobutanoic acid?
The InChIKey is GQKFQQGOYNFNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O3P/c5-4(6)2-1-3-8-7/h1-3H2,(H,5,6).
What are the key properties of 4-phosphorosobutanoic acid?
4-phosphorosobutanoic acid has a molecular weight of 134.07 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphorosobutanoic acid is sourced from PubChem (CID 21297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).