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

C7H11NO3 — CID 82595951

IUPAC4-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1CCNC(=O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyVRDRJCZQCGAZQB-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.16
Rot. Bonds1

About 4-methyl-2-oxopiperidine-3-carboxylic acid

4-methyl-2-oxopiperidine-3-carboxylic acid (PubChem CID 82595951) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-methyl-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxopiperidine-3-carboxylic acid
PubChem CID82595951
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1CCNC(=O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyVRDRJCZQCGAZQB-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxopiperidine-3-carboxylic acid (CID 82595951) is 4-methyl-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxopiperidine-3-carboxylic acid is CC1CCNC(=O)C1C(=O)O.
What is the InChIKey of 4-methyl-2-oxopiperidine-3-carboxylic acid?
The InChIKey is VRDRJCZQCGAZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-2-3-8-6(9)5(4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-methyl-2-oxopiperidine-3-carboxylic acid?
4-methyl-2-oxopiperidine-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 82595951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).