1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

C12H19NO4 — CID 119353921

IUPAC1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1CCC(C(=O)N2CCC(C(=O)O)C2)O1
InChIInChI=1S/C12H19NO4/c1-2-9-3-4-10(17-9)11(14)13-6-5-8(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyBWNQUGPFJVVCDO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds3

About 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119353921) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119353921
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1CCC(C(=O)N2CCC(C(=O)O)C2)O1
InChIInChI=1S/C12H19NO4/c1-2-9-3-4-10(17-9)11(14)13-6-5-8(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyBWNQUGPFJVVCDO-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365140
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119353921) is 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is CCC1CCC(C(=O)N2CCC(C(=O)O)C2)O1.
What is the InChIKey of 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BWNQUGPFJVVCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-9-3-4-10(17-9)11(14)13-6-5-8(7-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119353921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).