potassium;4-cyano-3-hydroxybutanoic acid;hydride

C5H8KNO3 — CID 173046665

IUPACpotassium;4-cyano-3-hydroxybutanoic acid;hydride
SMILESN#CCC(O)CC(=O)O.[H-].[K+]
InChIInChI=1S/C5H7NO3.K.H/c6-2-1-4(7)3-5(8)9;;/h4,7H,1,3H2,(H,8,9);;/q;+1;-1
InChIKeyMFWBCVONYGLHOP-UHFFFAOYSA-N
MW169.22 g/mol
LogP-3.15
Rot. Bonds3

About potassium;4-cyano-3-hydroxybutanoic acid;hydride

potassium;4-cyano-3-hydroxybutanoic acid;hydride (PubChem CID 173046665) has the molecular formula C5H8KNO3 and a molecular weight of 169.22 g/mol. Its IUPAC name is potassium;4-cyano-3-hydroxybutanoic acid;hydride.

Molecular Properties

Compound Namepotassium;4-cyano-3-hydroxybutanoic acid;hydride
PubChem CID173046665
Molecular FormulaC5H8KNO3
Molecular Weight169.22 g/mol
Exact Mass169.01
IUPAC Namepotassium;4-cyano-3-hydroxybutanoic acid;hydride
SMILESN#CCC(O)CC(=O)O.[H-].[K+]
InChIInChI=1S/C5H7NO3.K.H/c6-2-1-4(7)3-5(8)9;;/h4,7H,1,3H2,(H,8,9);;/q;+1;-1
InChIKeyMFWBCVONYGLHOP-UHFFFAOYSA-N
XLogP-3.15
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-3.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-4-isocyanobutanoic acid;(3S)-3-hydroxy-4-methanidylidyne(15N)azaniumylbutanenitrile;(3S)-3-hydroxy-4-methanidylidyne(15N)azaniumylbutanoic acid;methane
CID 160831653
3-hydroxypentanedi(15N)nitrile
CID 25240589
ethyl (3R)-4-cyano-3-hydroxybutanoate
CID 2733879
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
3,3-dicyanopropanoic acid
CID 22288491
disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
CID 173266858
4-cyano-3-pyrrolidin-1-ylbutanoic acid
CID 105440011
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
3-hydroxypentanoic acid;methanol
CID 174973747
azane;3-cyanopentanedioic acid
CID 175179409
4-[2-cyanoethyl(2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 82770891
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148

Frequently Asked Questions

What is the IUPAC name of potassium;4-cyano-3-hydroxybutanoic acid;hydride?
The IUPAC name of potassium;4-cyano-3-hydroxybutanoic acid;hydride (CID 173046665) is potassium;4-cyano-3-hydroxybutanoic acid;hydride.
What is the SMILES notation for potassium;4-cyano-3-hydroxybutanoic acid;hydride?
The canonical SMILES for potassium;4-cyano-3-hydroxybutanoic acid;hydride is N#CCC(O)CC(=O)O.[H-].[K+].
What is the InChIKey of potassium;4-cyano-3-hydroxybutanoic acid;hydride?
The InChIKey is MFWBCVONYGLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.K.H/c6-2-1-4(7)3-5(8)9;;/h4,7H,1,3H2,(H,8,9);;/q;+1;-1.
What are the key properties of potassium;4-cyano-3-hydroxybutanoic acid;hydride?
potassium;4-cyano-3-hydroxybutanoic acid;hydride has a molecular weight of 169.22 g/mol, XLogP of -3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-cyano-3-hydroxybutanoic acid;hydride is sourced from PubChem (CID 173046665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).