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

C9H10N2O4 — CID 43209795

IUPAC1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=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)
InChIKeyBUPLIGZWKSOCSK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.36
Rot. Bonds2

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

1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43209795) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43209795
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=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)
InChIKeyBUPLIGZWKSOCSK-UHFFFAOYSA-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

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Related Compounds

1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980604
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 82507773
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92575873
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66334626
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 110835478
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 43209795) is 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccno1.
What is the InChIKey of 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BUPLIGZWKSOCSK-UHFFFAOYSA-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).
What are the key properties of 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
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 1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43209795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).