2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid

C16H29NO2 — CID 83080208

IUPAC2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCC(N2CCCC2(CC)C(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-7-5-8-14(10-9-13)17-12-6-11-16(17,4-2)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyYFZNYVJXGQQHQK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080208) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid
PubChem CID83080208
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCC(N2CCCC2(CC)C(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-7-5-8-14(10-9-13)17-12-6-11-16(17,4-2)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyYFZNYVJXGQQHQK-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid (CID 83080208) is 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid is CCC1CCCC(N2CCCC2(CC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YFZNYVJXGQQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-7-5-8-14(10-9-13)17-12-6-11-16(17,4-2)15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).