3-methyl-2-oxopiperidine-3-carboxylic acid

C7H11NO3 — CID 71326072

IUPAC3-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCNC1=O
InChIInChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZHFYGKPIJJBFJH-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds1

About 3-methyl-2-oxopiperidine-3-carboxylic acid

3-methyl-2-oxopiperidine-3-carboxylic acid (PubChem CID 71326072) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-methyl-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxopiperidine-3-carboxylic acid
PubChem CID71326072
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCNC1=O
InChIInChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZHFYGKPIJJBFJH-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-Oxopiperidine-3-carboxylic acid
CID 560090
2-Oxo-3-piperidinecarboxylic acid
CID 12388269
Methyl 2-oxopiperidine-3-carboxylate
CID 3981101
(3R)-6-oxopiperidine-3-carboxylic acid
CID 42546122
3-Methylpiperidine-3-carboxylic acid hydrochloride
CID 54595615
3-Methyl-6-oxopiperidine-3-carboxylic acid
CID 83529057
3-Methylpiperidine-3-carboxylic acid
CID 18419695
4,4-Dimethyl-6-oxopiperidine-3-carboxylic acid
CID 84654076
Ethyl 3-(hydroxymethyl)-2-oxopiperidine-3-carboxylate
CID 165978892
(Rac)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 139201067
2-Oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 43431235
1-Methyl-2-oxopiperidine-3-carboxylic acid
CID 57931757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-2-oxopiperidine-3-carboxylic acid (CID 71326072) is 3-methyl-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxopiperidine-3-carboxylic acid is CC1(C(=O)O)CCCNC1=O.
What is the InChIKey of 3-methyl-2-oxopiperidine-3-carboxylic acid?
The InChIKey is ZHFYGKPIJJBFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-methyl-2-oxopiperidine-3-carboxylic acid?
3-methyl-2-oxopiperidine-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 71326072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).