3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 106588062

IUPAC3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCCC(COC)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-15(13(18)19)6-8-17(11-15)14(20)16-7-4-5-12(9-16)10-21-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyUKYZRZQISPRFDW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds4

About 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 106588062) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID106588062
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCCC(COC)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-15(13(18)19)6-8-17(11-15)14(20)16-7-4-5-12(9-16)10-21-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyUKYZRZQISPRFDW-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid (CID 106588062) is 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCCC(COC)C2)C1.
What is the InChIKey of 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UKYZRZQISPRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-15(13(18)19)6-8-17(11-15)14(20)16-7-4-5-12(9-16)10-21-2/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106588062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).