2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid

C12H23NO3 — CID 83070929

IUPAC2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCOC(C)C
InChIInChI=1S/C12H23NO3/c1-4-12(11(14)15)6-5-7-13(12)8-9-16-10(2)3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyIBUURYODURJYFJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds6

About 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 83070929) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID83070929
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCOC(C)C
InChIInChI=1S/C12H23NO3/c1-4-12(11(14)15)6-5-7-13(12)8-9-16-10(2)3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyIBUURYODURJYFJ-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid (CID 83070929) is 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCOC(C)C.
What is the InChIKey of 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IBUURYODURJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(11(14)15)6-5-7-13(12)8-9-16-10(2)3/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).