6-methyl-4-oxopiperidine-2-carboxylic acid

C7H11NO3 — CID 78053770

IUPAC6-methyl-4-oxopiperidine-2-carboxylic acid
SMILESCC1CC(=O)CC(C(=O)O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h4,6,8H,2-3H2,1H3,(H,10,11)
InChIKeyJRRDBAVETVMUSP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About 6-methyl-4-oxopiperidine-2-carboxylic acid

6-methyl-4-oxopiperidine-2-carboxylic acid (PubChem CID 78053770) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-methyl-4-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxopiperidine-2-carboxylic acid
PubChem CID78053770
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-methyl-4-oxopiperidine-2-carboxylic acid
SMILESCC1CC(=O)CC(C(=O)O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h4,6,8H,2-3H2,1H3,(H,10,11)
InChIKeyJRRDBAVETVMUSP-UHFFFAOYSA-N
XLogP-0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxopiperidine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-oxopiperidine-2-carboxylic acid (CID 78053770) is 6-methyl-4-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxopiperidine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxopiperidine-2-carboxylic acid is CC1CC(=O)CC(C(=O)O)N1.
What is the InChIKey of 6-methyl-4-oxopiperidine-2-carboxylic acid?
The InChIKey is JRRDBAVETVMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-2-5(9)3-6(8-4)7(10)11/h4,6,8H,2-3H2,1H3,(H,10,11).
What are the key properties of 6-methyl-4-oxopiperidine-2-carboxylic acid?
6-methyl-4-oxopiperidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 78053770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).