3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid

C13H22N2O5 — CID 81204424

IUPAC3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C13H22N2O5/c1-2-13(11(17)18)3-4-15(9-13)12(19)14-5-6-20-10(7-14)8-16/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyPHAJDZXPQOLSRL-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.01
Rot. Bonds3

About 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 81204424) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID81204424
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C13H22N2O5/c1-2-13(11(17)18)3-4-15(9-13)12(19)14-5-6-20-10(7-14)8-16/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyPHAJDZXPQOLSRL-UHFFFAOYSA-N
XLogP-0.01
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 81204424) is 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCOC(CO)C2)C1.
What is the InChIKey of 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PHAJDZXPQOLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-13(11(17)18)3-4-15(9-13)12(19)14-5-6-20-10(7-14)8-16/h10,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81204424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).