3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid

C14H18N2O4 — CID 66286395

IUPAC3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C14H18N2O4/c1-3-14(13(18)19)5-7-16(9-14)10-4-6-15-11(8-10)12(17)20-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,19)
InChIKeyZUWZTPOGRVIBCT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.56
Rot. Bonds4

About 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 66286395) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID66286395
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C14H18N2O4/c1-3-14(13(18)19)5-7-16(9-14)10-4-6-15-11(8-10)12(17)20-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,19)
InChIKeyZUWZTPOGRVIBCT-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid (CID 66286395) is 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2ccnc(C(=O)OC)c2)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZUWZTPOGRVIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-14(13(18)19)5-7-16(9-14)10-4-6-15-11(8-10)12(17)20-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66286395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).