5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid

C9H12N2O3 — CID 165440213

IUPAC5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCN1CCC[C@@H]1c1ocnc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-4-2-3-6(11)8-7(9(12)13)10-5-14-8/h5-6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyIAVMGCWPZXVFNM-ZCFIWIBFSA-N
MW196.21 g/mol
LogP1.14
Rot. Bonds2

About 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid

5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 165440213) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID165440213
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCN1CCC[C@@H]1c1ocnc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-4-2-3-6(11)8-7(9(12)13)10-5-14-8/h5-6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyIAVMGCWPZXVFNM-ZCFIWIBFSA-N
XLogP1.14
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid (CID 165440213) is 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid is CN1CCC[C@@H]1c1ocnc1C(=O)O.
What is the InChIKey of 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is IAVMGCWPZXVFNM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-4-2-3-6(11)8-7(9(12)13)10-5-14-8/h5-6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 165440213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).