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

C13H22N2O4 — CID 63145950

IUPAC3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOC(C)C2)C1
InChIInChI=1S/C13H22N2O4/c1-3-13(11(16)17)4-5-15(9-13)12(18)14-6-7-19-10(2)8-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyKLLZYIHCJHTGOW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds2

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

3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63145950) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63145950
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOC(C)C2)C1
InChIInChI=1S/C13H22N2O4/c1-3-13(11(16)17)4-5-15(9-13)12(18)14-6-7-19-10(2)8-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyKLLZYIHCJHTGOW-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63149252
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102962502
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63145950) is 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCOC(C)C2)C1.
What is the InChIKey of 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KLLZYIHCJHTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-13(11(16)17)4-5-15(9-13)12(18)14-6-7-19-10(2)8-14/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).