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

C9H15NO3 — CID 130815234

IUPAC1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
SMILESCCN1C(=O)CC(C)CC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-10-7(9(12)13)4-6(2)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyNMIYFKXZESZHHK-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid

1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid (PubChem CID 130815234) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
PubChem CID130815234
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
SMILESCCN1C(=O)CC(C)CC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-10-7(9(12)13)4-6(2)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyNMIYFKXZESZHHK-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129413536
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1-ethyl-5-oxopyrrolidine-2-carboxylic acid
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(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
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(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 71498111
1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
CID 68720122
1-ethyl-5-hydroxy-3-methylpyrrolidin-2-one
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(2R,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001063
(2S,4R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid (CID 130815234) is 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid is CCN1C(=O)CC(C)CC1C(=O)O.
What is the InChIKey of 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid?
The InChIKey is NMIYFKXZESZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-10-7(9(12)13)4-6(2)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid?
1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 130815234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).