1-methyl-6-oxopiperidine-3-carboxylic acid

C7H11NO3 — CID 25247731

IUPAC1-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C7H11NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFMLCUICPLLRLEU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds1

About 1-methyl-6-oxopiperidine-3-carboxylic acid

1-methyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 25247731) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-methyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxopiperidine-3-carboxylic acid
PubChem CID25247731
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C7H11NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFMLCUICPLLRLEU-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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Related Compounds

6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
1-(2,3-dimethylcyclopentyl)-6-oxopiperidine-3-carboxylic acid
CID 64920899
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-oxopiperidine-3-carboxylic acid (CID 25247731) is 1-methyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxopiperidine-3-carboxylic acid is CN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-methyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is FMLCUICPLLRLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-methyl-6-oxopiperidine-3-carboxylic acid?
1-methyl-6-oxopiperidine-3-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-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 25247731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).