5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid

C9H12N2O3 — CID 82399814

IUPAC5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cnc(C2CCC(C(=O)O)N2)o1
InChIInChI=1S/C9H12N2O3/c1-5-4-10-8(14-5)6-2-3-7(11-6)9(12)13/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyCEHIXDOERBJSPI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.86
Rot. Bonds2

About 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid

5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82399814) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID82399814
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cnc(C2CCC(C(=O)O)N2)o1
InChIInChI=1S/C9H12N2O3/c1-5-4-10-8(14-5)6-2-3-7(11-6)9(12)13/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyCEHIXDOERBJSPI-UHFFFAOYSA-N
XLogP0.86
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid (CID 82399814) is 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid is Cc1cnc(C2CCC(C(=O)O)N2)o1.
What is the InChIKey of 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is CEHIXDOERBJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-10-8(14-5)6-2-3-7(11-6)9(12)13/h4,6-7,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid?
5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82399814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).