3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 66258534

IUPAC3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCNC1COCC1C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(13(18)19)5-6-16(9-14)12(17)10-7-20-8-11(10)15-4-2/h10-11,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyUZPQKQVXSDJNOH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.32
Rot. Bonds5

About 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 66258534) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID66258534
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCNC1COCC1C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(13(18)19)5-6-16(9-14)12(17)10-7-20-8-11(10)15-4-2/h10-11,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyUZPQKQVXSDJNOH-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66236692
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
(4-ethyl-4-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256554
1-(2-aminocyclopentanecarbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64824663
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258113
1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259246
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383810

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 66258534) is 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid is CCNC1COCC1C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UZPQKQVXSDJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(13(18)19)5-6-16(9-14)12(17)10-7-20-8-11(10)15-4-2/h10-11,15H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66258534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).