4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid

C8H11NO3 — CID 115013532

IUPAC4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)C(=O)N1
InChIInChI=1S/C8H11NO3/c10-7-5(4-1-2-4)3-6(9-7)8(11)12/h4-6H,1-3H2,(H,9,10)(H,11,12)
InChIKeyFCQBNYVVUYWIGI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

About 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid

4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 115013532) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID115013532
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)C(=O)N1
InChIInChI=1S/C8H11NO3/c10-7-5(4-1-2-4)3-6(9-7)8(11)12/h4-6H,1-3H2,(H,9,10)(H,11,12)
InChIKeyFCQBNYVVUYWIGI-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid (CID 115013532) is 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CC(C2CC2)C(=O)N1.
What is the InChIKey of 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is FCQBNYVVUYWIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-5(4-1-2-4)3-6(9-7)8(11)12/h4-6H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid?
4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115013532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).