3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 63149252

IUPAC3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-4-12-9-21-11(3)8-17(12)14(20)16-7-6-15(5-2,10-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyMBDDTXSMGRPWOO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds3

About 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63149252) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63149252
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-4-12-9-21-11(3)8-17(12)14(20)16-7-6-15(5-2,10-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyMBDDTXSMGRPWOO-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578291
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
(5-ethyl-2-methylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128072
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83219396
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63149252) is 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is CCC1COC(C)CN1C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MBDDTXSMGRPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-12-9-21-11(3)8-17(12)14(20)16-7-6-15(5-2,10-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).