(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C9H10N2O4 — CID 28777868

IUPAC(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccno1
InChIInChI=1S/C9H10N2O4/c12-8(7-3-4-10-15-7)11-5-1-2-6(11)9(13)14/h3-4,6H,1-2,5H2,(H,13,14)/t6-/m1/s1
InChIKeyBUPLIGZWKSOCSK-ZCFIWIBFSA-N
MW210.19 g/mol
LogP0.36
Rot. Bonds2

About (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28777868) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28777868
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccno1
InChIInChI=1S/C9H10N2O4/c12-8(7-3-4-10-15-7)11-5-1-2-6(11)9(13)14/h3-4,6H,1-2,5H2,(H,13,14)/t6-/m1/s1
InChIKeyBUPLIGZWKSOCSK-ZCFIWIBFSA-N
XLogP0.36
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(1,2-oxazole-5-carbonyl)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 (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 28777868) is (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccno1.
What is the InChIKey of (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BUPLIGZWKSOCSK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(7-3-4-10-15-7)11-5-1-2-6(11)9(13)14/h3-4,6H,1-2,5H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28777868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).