4-[hydroxy(methyl)phosphoryl]butanoic acid

C5H11O4P — CID 10080731

IUPAC4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CCCC(=O)O
InChIInChI=1S/C5H11O4P/c1-10(8,9)4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9)
InChIKeyAKAIYXRPMRQJCA-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.75
Rot. Bonds4

About 4-[hydroxy(methyl)phosphoryl]butanoic acid

4-[hydroxy(methyl)phosphoryl]butanoic acid (PubChem CID 10080731) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 4-[hydroxy(methyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name4-[hydroxy(methyl)phosphoryl]butanoic acid
PubChem CID10080731
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CCCC(=O)O
InChIInChI=1S/C5H11O4P/c1-10(8,9)4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9)
InChIKeyAKAIYXRPMRQJCA-UHFFFAOYSA-N
XLogP0.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(methyl)phosphoryl]butanoic acid?
The IUPAC name of 4-[hydroxy(methyl)phosphoryl]butanoic acid (CID 10080731) is 4-[hydroxy(methyl)phosphoryl]butanoic acid.
What is the SMILES notation for 4-[hydroxy(methyl)phosphoryl]butanoic acid?
The canonical SMILES for 4-[hydroxy(methyl)phosphoryl]butanoic acid is CP(=O)(O)CCCC(=O)O.
What is the InChIKey of 4-[hydroxy(methyl)phosphoryl]butanoic acid?
The InChIKey is AKAIYXRPMRQJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-10(8,9)4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 4-[hydroxy(methyl)phosphoryl]butanoic acid?
4-[hydroxy(methyl)phosphoryl]butanoic acid has a molecular weight of 166.11 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(methyl)phosphoryl]butanoic acid is sourced from PubChem (CID 10080731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).