3-hydroxy-4-phosphonobutanoic acid

C4H9O6P — CID 14010317

IUPAC3-hydroxy-4-phosphonobutanoic acid
SMILESO=C(O)CC(O)CP(=O)(O)O
InChIInChI=1S/C4H9O6P/c5-3(1-4(6)7)2-11(8,9)10/h3,5H,1-2H2,(H,6,7)(H2,8,9,10)
InChIKeyRIZIYJOVNPJCDN-UHFFFAOYSA-N
MW184.08 g/mol
LogP-1.00
Rot. Bonds4

About 3-hydroxy-4-phosphonobutanoic acid

3-hydroxy-4-phosphonobutanoic acid (PubChem CID 14010317) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is 3-hydroxy-4-phosphonobutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-phosphonobutanoic acid
PubChem CID14010317
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Name3-hydroxy-4-phosphonobutanoic acid
SMILESO=C(O)CC(O)CP(=O)(O)O
InChIInChI=1S/C4H9O6P/c5-3(1-4(6)7)2-11(8,9)10/h3,5H,1-2H2,(H,6,7)(H2,8,9,10)
InChIKeyRIZIYJOVNPJCDN-UHFFFAOYSA-N
XLogP-1.00
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
3-[(2-carboxy-1-phosphonoethyl)amino]-3-phosphonopropanoic acid
CID 90023765
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
3-hydroxyoctanedioic acid
CID 22328017
3-hydroxypentanoic acid;methanol
CID 174973747
3,3-bis(dimethylphosphoryl)propanoic acid
CID 155820609
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
potassium;sodium;hydride;2-hydroxybutanedioic acid;phosphoric acid
CID 174791602
3-methoxy-3-phosphonopropanoic acid
CID 88757253
2-[1,2-dicarboxyethyl(hydroxy)phosphoryl]butanedioic acid
CID 18519476
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phosphonobutanoic acid?
The IUPAC name of 3-hydroxy-4-phosphonobutanoic acid (CID 14010317) is 3-hydroxy-4-phosphonobutanoic acid.
What is the SMILES notation for 3-hydroxy-4-phosphonobutanoic acid?
The canonical SMILES for 3-hydroxy-4-phosphonobutanoic acid is O=C(O)CC(O)CP(=O)(O)O.
What is the InChIKey of 3-hydroxy-4-phosphonobutanoic acid?
The InChIKey is RIZIYJOVNPJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O6P/c5-3(1-4(6)7)2-11(8,9)10/h3,5H,1-2H2,(H,6,7)(H2,8,9,10).
What are the key properties of 3-hydroxy-4-phosphonobutanoic acid?
3-hydroxy-4-phosphonobutanoic acid has a molecular weight of 184.08 g/mol, XLogP of -1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phosphonobutanoic acid is sourced from PubChem (CID 14010317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).