3-ethyl-6-oxopiperidine-3-carboxylic acid

C8H13NO3 — CID 83529536

IUPAC3-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCC(=O)NC1
InChIInChI=1S/C8H13NO3/c1-2-8(7(11)12)4-3-6(10)9-5-8/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyLSROGWRQZHLPMI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds2

About 3-ethyl-6-oxopiperidine-3-carboxylic acid

3-ethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 83529536) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-ethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID83529536
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCC(=O)NC1
InChIInChI=1S/C8H13NO3/c1-2-8(7(11)12)4-3-6(10)9-5-8/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyLSROGWRQZHLPMI-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
(4S)-4-methyl-7-oxoazepane-4-carboxylic acid
CID 99985735
3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 84720895
5-benzyl-5-methylpiperidin-2-one
CID 102737184
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 63607667
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126649
5-(aminomethyl)-5-propylpiperidin-2-one
CID 83529483
4-ethyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106192114
3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 84727075
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
3-ethyloxolane-3-carboxylic acid
CID 62740785

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-6-oxopiperidine-3-carboxylic acid (CID 83529536) is 3-ethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-6-oxopiperidine-3-carboxylic acid is CCC1(C(=O)O)CCC(=O)NC1.
What is the InChIKey of 3-ethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is LSROGWRQZHLPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-8(7(11)12)4-3-6(10)9-5-8/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-ethyl-6-oxopiperidine-3-carboxylic acid?
3-ethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 83529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).