(3-cyano-3-hydroxypropyl)-methylphosphinic acid

C5H10NO3P — CID 71533791

IUPAC(3-cyano-3-hydroxypropyl)-methylphosphinic acid
SMILESCP(=O)(O)CCC(O)C#N
InChIInChI=1S/C5H10NO3P/c1-10(8,9)3-2-5(7)4-6/h5,7H,2-3H2,1H3,(H,8,9)
InChIKeyIGMIJPKTXZBKQG-UHFFFAOYSA-N
MW163.11 g/mol
LogP0.16
Rot. Bonds3

About (3-cyano-3-hydroxypropyl)-methylphosphinic acid

(3-cyano-3-hydroxypropyl)-methylphosphinic acid (PubChem CID 71533791) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is (3-cyano-3-hydroxypropyl)-methylphosphinic acid.

Molecular Properties

Compound Name(3-cyano-3-hydroxypropyl)-methylphosphinic acid
PubChem CID71533791
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Name(3-cyano-3-hydroxypropyl)-methylphosphinic acid
SMILESCP(=O)(O)CCC(O)C#N
InChIInChI=1S/C5H10NO3P/c1-10(8,9)3-2-5(7)4-6/h5,7H,2-3H2,1H3,(H,8,9)
InChIKeyIGMIJPKTXZBKQG-UHFFFAOYSA-N
XLogP0.16
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[butoxy(methyl)phosphoryl]-2-hydroxybutanenitrile
CID 126709938
(2S)-2-hydroxypentanenitrile
CID 12548639
methyl 4-cyano-4-hydroxybutanoate
CID 59528037
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
2-ethylpentanenitrile;phosphoric acid;hydrate
CID 87127750
(2S)-2-hydroxypentanedinitrile
CID 98062050
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
(3-amino-3-cyanopropyl)-methylphosphinate
CID 153493873
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
CID 178163308
methyl(propyl)phosphinic acid
CID 10992780
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061

Frequently Asked Questions

What is the IUPAC name of (3-cyano-3-hydroxypropyl)-methylphosphinic acid?
The IUPAC name of (3-cyano-3-hydroxypropyl)-methylphosphinic acid (CID 71533791) is (3-cyano-3-hydroxypropyl)-methylphosphinic acid.
What is the SMILES notation for (3-cyano-3-hydroxypropyl)-methylphosphinic acid?
The canonical SMILES for (3-cyano-3-hydroxypropyl)-methylphosphinic acid is CP(=O)(O)CCC(O)C#N.
What is the InChIKey of (3-cyano-3-hydroxypropyl)-methylphosphinic acid?
The InChIKey is IGMIJPKTXZBKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-10(8,9)3-2-5(7)4-6/h5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of (3-cyano-3-hydroxypropyl)-methylphosphinic acid?
(3-cyano-3-hydroxypropyl)-methylphosphinic acid has a molecular weight of 163.11 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-3-hydroxypropyl)-methylphosphinic acid is sourced from PubChem (CID 71533791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).