1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid

C10H12N2O3 — CID 131001793

IUPAC1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
SMILESO=C1CC(Cn2cccc2C(=O)O)CN1
InChIInChI=1S/C10H12N2O3/c13-9-4-7(5-11-9)6-12-3-1-2-8(12)10(14)15/h1-3,7H,4-6H2,(H,11,13)(H,14,15)
InChIKeyFNTPORYCDKUMLP-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.32
Rot. Bonds3

About 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid

1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid (PubChem CID 131001793) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
PubChem CID131001793
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid
SMILESO=C1CC(Cn2cccc2C(=O)O)CN1
InChIInChI=1S/C10H12N2O3/c13-9-4-7(5-11-9)6-12-3-1-2-8(12)10(14)15/h1-3,7H,4-6H2,(H,11,13)(H,14,15)
InChIKeyFNTPORYCDKUMLP-UHFFFAOYSA-N
XLogP0.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid (CID 131001793) is 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid is O=C1CC(Cn2cccc2C(=O)O)CN1.
What is the InChIKey of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid?
The InChIKey is FNTPORYCDKUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9-4-7(5-11-9)6-12-3-1-2-8(12)10(14)15/h1-3,7H,4-6H2,(H,11,13)(H,14,15).
What are the key properties of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid?
1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 131001793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).