2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid

C8H10N2O3 — CID 22256536

IUPAC2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncco1
InChIInChI=1S/C8H10N2O3/c11-8(12)10-4-1-2-6(10)7-9-3-5-13-7/h3,5-6H,1-2,4H2,(H,11,12)
InChIKeyYOMGQTVTLXVUAH-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.49
Rot. Bonds1

About 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid

2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 22256536) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID22256536
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncco1
InChIInChI=1S/C8H10N2O3/c11-8(12)10-4-1-2-6(10)7-9-3-5-13-7/h3,5-6H,1-2,4H2,(H,11,12)
InChIKeyYOMGQTVTLXVUAH-UHFFFAOYSA-N
XLogP1.49
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid (CID 22256536) is 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is YOMGQTVTLXVUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)10-4-1-2-6(10)7-9-3-5-13-7/h3,5-6H,1-2,4H2,(H,11,12).
What are the key properties of 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid?
2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22256536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).