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

C7H11NO3 — CID 22265446

IUPAC1-methyl-2-oxopiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C7H11NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFQRTVGXATBBMPJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds1

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

1-methyl-2-oxopiperidine-4-carboxylic acid (PubChem CID 22265446) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-methyl-2-oxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxopiperidine-4-carboxylic acid
PubChem CID22265446
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-methyl-2-oxopiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)CC1=O
InChIInChI=1S/C7H11NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFQRTVGXATBBMPJ-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopiperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxopiperidine-4-carboxylic acid (CID 22265446) is 1-methyl-2-oxopiperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxopiperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxopiperidine-4-carboxylic acid is CN1CCC(C(=O)O)CC1=O.
What is the InChIKey of 1-methyl-2-oxopiperidine-4-carboxylic acid?
The InChIKey is FQRTVGXATBBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-methyl-2-oxopiperidine-4-carboxylic acid?
1-methyl-2-oxopiperidine-4-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxopiperidine-4-carboxylic acid is sourced from PubChem (CID 22265446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).