1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid

C9H12N2O3 — CID 43441675

IUPAC1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccno1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-2-1-5-11(8)6-7-3-4-10-14-7/h3-4,8H,1-2,5-6H2,(H,12,13)
InChIKeyCATMGQNJQWIBKA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.72
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid

1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 43441675) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID43441675
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccno1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-2-1-5-11(8)6-7-3-4-10-14-7/h3-4,8H,1-2,5-6H2,(H,12,13)
InChIKeyCATMGQNJQWIBKA-UHFFFAOYSA-N
XLogP0.72
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid (CID 43441675) is 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CATMGQNJQWIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)8-2-1-5-11(8)6-7-3-4-10-14-7/h3-4,8H,1-2,5-6H2,(H,12,13).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).