4-cyano-3-hydroxypiperidine-1-carboxylic acid

C7H10N2O3 — CID 22128049

IUPAC4-cyano-3-hydroxypiperidine-1-carboxylic acid
SMILESN#CC1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H10N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-2,4H2,(H,11,12)
InChIKeyFYVIBAUOGJGUTJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.13
Rot. Bonds

About 4-cyano-3-hydroxypiperidine-1-carboxylic acid

4-cyano-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 22128049) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-cyano-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyano-3-hydroxypiperidine-1-carboxylic acid
PubChem CID22128049
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-cyano-3-hydroxypiperidine-1-carboxylic acid
SMILESN#CC1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H10N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-2,4H2,(H,11,12)
InChIKeyFYVIBAUOGJGUTJ-UHFFFAOYSA-N
XLogP-0.13
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-cyano-3-hydroxypiperidine-1-carboxylic acid (CID 22128049) is 4-cyano-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyano-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-cyano-3-hydroxypiperidine-1-carboxylic acid is N#CC1CCN(C(=O)O)CC1O.
What is the InChIKey of 4-cyano-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is FYVIBAUOGJGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-2,4H2,(H,11,12).
What are the key properties of 4-cyano-3-hydroxypiperidine-1-carboxylic acid?
4-cyano-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).