1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 10125234

IUPAC1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1CCCC1CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O3/c1-13-5-2-3-10(13)4-6-14-8-9(12(16)17)7-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeySXPHAFCDHTZKGJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.40
Rot. Bonds4

About 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 10125234) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID10125234
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1CCCC1CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O3/c1-13-5-2-3-10(13)4-6-14-8-9(12(16)17)7-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeySXPHAFCDHTZKGJ-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 10125234) is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CN1CCCC1CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SXPHAFCDHTZKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-5-2-3-10(13)4-6-14-8-9(12(16)17)7-11(14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 10125234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).