1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid

C13H23NO2 — CID 102786918

IUPAC1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCC1CCCC1N1CCC(C)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-10-5-4-6-11(10)14-8-7-9(2)12(14)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDTQQRJDTLMJMDC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786918) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786918
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCC1CCCC1N1CCC(C)C1C(=O)O
InChIInChI=1S/C13H23NO2/c1-3-10-5-4-6-11(10)14-8-7-9(2)12(14)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDTQQRJDTLMJMDC-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
CID 107072062
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
1-(3-ethoxycyclobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 106824464
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
tert-butyl (2R)-1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537695
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
[4-ethyl-1-(2-ethylcyclopentyl)piperidin-2-yl]methanamine
CID 103351794
3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 102785778
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102786918) is 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid is CCC1CCCC1N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DTQQRJDTLMJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-10-5-4-6-11(10)14-8-7-9(2)12(14)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).