3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid

C9H12N2O3 — CID 105449750

IUPAC3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C2CCNC2)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(9(12)13)8(14-11-5)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H,12,13)
InChIKeyOCBIMNIHSGROLQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.76
Rot. Bonds2

About 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid

3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 105449750) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID105449750
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C2CCNC2)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-7(9(12)13)8(14-11-5)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H,12,13)
InChIKeyOCBIMNIHSGROLQ-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid (CID 105449750) is 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid is Cc1noc(C2CCNC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is OCBIMNIHSGROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7(9(12)13)8(14-11-5)6-2-3-10-4-6/h6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid?
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 105449750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).