5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid

C11H19NO2 — CID 83915874

IUPAC5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid
SMILESCCC1NCC(C2CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-2-10-9(11(13)14)5-8(6-12-10)7-3-4-7/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyAVYYLUURZSDNAE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.49
Rot. Bonds3

About 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid

5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid (PubChem CID 83915874) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid
PubChem CID83915874
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid
SMILESCCC1NCC(C2CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-2-10-9(11(13)14)5-8(6-12-10)7-3-4-7/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyAVYYLUURZSDNAE-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-ethylpyrrolidine-3-carboxylic acid
CID 95993864
methyl 2-ethyl-5-methylpiperidine-3-carboxylate
CID 83915219
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
4-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 117269878
(1R,6R)-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-dicarboxylic acid
CID 94037473
(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
[5-cyclopropyl-2-(2-methylpropyl)piperidin-3-yl]methanol
CID 83916879
3,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarboxylic acid
CID 139838289
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid (CID 83915874) is 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid is CCC1NCC(C2CC2)CC1C(=O)O.
What is the InChIKey of 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid?
The InChIKey is AVYYLUURZSDNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10-9(11(13)14)5-8(6-12-10)7-3-4-7/h7-10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid?
5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83915874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).