4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride

C7H12ClNO3 — CID 70531309

IUPAC4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride
SMILESCC1CCN(C(=O)O)C(=O)C1.Cl
InChIInChI=1S/C7H11NO3.ClH/c1-5-2-3-8(7(10)11)6(9)4-5;/h5H,2-4H2,1H3,(H,10,11);1H
InChIKeyAQHXDZJRZXLXKG-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.34
Rot. Bonds

About 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride

4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride (PubChem CID 70531309) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride
PubChem CID70531309
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride
SMILESCC1CCN(C(=O)O)C(=O)C1.Cl
InChIInChI=1S/C7H11NO3.ClH/c1-5-2-3-8(7(10)11)6(9)4-5;/h5H,2-4H2,1H3,(H,10,11);1H
InChIKeyAQHXDZJRZXLXKG-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride (CID 70531309) is 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride is CC1CCN(C(=O)O)C(=O)C1.Cl.
What is the InChIKey of 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride?
The InChIKey is AQHXDZJRZXLXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c1-5-2-3-8(7(10)11)6(9)4-5;/h5H,2-4H2,1H3,(H,10,11);1H.
What are the key properties of 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride?
4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxopiperidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).