1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid

C11H17NO4 — CID 62086742

IUPAC1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC1CCCC1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H17NO4/c1-16-9-4-2-3-8(9)12-6-7(11(14)15)5-10(12)13/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyGRAJMGYETUIVMH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds3

About 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 62086742) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID62086742
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC1CCCC1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H17NO4/c1-16-9-4-2-3-8(9)12-6-7(11(14)15)5-10(12)13/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyGRAJMGYETUIVMH-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid (CID 62086742) is 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid is COC1CCCC1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GRAJMGYETUIVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-16-9-4-2-3-8(9)12-6-7(11(14)15)5-10(12)13/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62086742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).