3-ethyl-5-methylpiperidine-3-carboxylic acid

C9H17NO2 — CID 130899276

IUPAC3-ethyl-5-methylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CNCC(C)C1
InChIInChI=1S/C9H17NO2/c1-3-9(8(11)12)4-7(2)5-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJGTLUZXWQNSOJU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds2

About 3-ethyl-5-methylpiperidine-3-carboxylic acid

3-ethyl-5-methylpiperidine-3-carboxylic acid (PubChem CID 130899276) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethyl-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-methylpiperidine-3-carboxylic acid
PubChem CID130899276
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-ethyl-5-methylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CNCC(C)C1
InChIInChI=1S/C9H17NO2/c1-3-9(8(11)12)4-7(2)5-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyJGTLUZXWQNSOJU-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
(3-cyclopropyl-5-methylpiperidin-3-yl)methanol
CID 131014988
(3R,5S)-5-tert-butyl-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;hydrochloride
CID 178134382
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
(3R,5S)-5-tert-butyl-3-(3-methylbutyl)piperidine-3-carboxylic acid;hydrochloride
CID 177236663
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 172797818
ethane;7-methyl-5-azaspiro[2.5]octane
CID 144927405
(Z)-1-(1-ethylcyclohexyl)-3-(1-ethyl-3-methylcyclohexyl)-3-hydroxyprop-2-en-1-one
CID 166917675

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-5-methylpiperidine-3-carboxylic acid (CID 130899276) is 3-ethyl-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-5-methylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CNCC(C)C1.
What is the InChIKey of 3-ethyl-5-methylpiperidine-3-carboxylic acid?
The InChIKey is JGTLUZXWQNSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(8(11)12)4-7(2)5-10-6-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-5-methylpiperidine-3-carboxylic acid?
3-ethyl-5-methylpiperidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).