3-(diethylaminomethyl)cyclopentane-1-carboxylic acid

C11H21NO2 — CID 83819168

IUPAC3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC1CCC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-12(4-2)8-9-5-6-10(7-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySDVBOTJZZBWJAG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds5

About 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid

3-(diethylaminomethyl)cyclopentane-1-carboxylic acid (PubChem CID 83819168) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
PubChem CID83819168
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
SMILESCCN(CC)CC1CCC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-12(4-2)8-9-5-6-10(7-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySDVBOTJZZBWJAG-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[bis(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470529
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532481
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid (CID 83819168) is 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid is CCN(CC)CC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid?
The InChIKey is SDVBOTJZZBWJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12(4-2)8-9-5-6-10(7-9)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid?
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83819168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).