(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid

C9H12N2O3 — CID 138487812

IUPAC(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C#N)[C@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,5-10)6-3-4-7(12)11(6)8(13)14/h6H,3-4H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyFRXOZURIBKGIAL-ZCFIWIBFSA-N
MW196.21 g/mol
LogP1.21
Rot. Bonds1

About (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid

(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid (PubChem CID 138487812) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid
PubChem CID138487812
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C#N)[C@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-9(2,5-10)6-3-4-7(12)11(6)8(13)14/h6H,3-4H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyFRXOZURIBKGIAL-ZCFIWIBFSA-N
XLogP1.21
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid (CID 138487812) is (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid is CC(C)(C#N)[C@H]1CCC(=O)N1C(=O)O.
What is the InChIKey of (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid?
The InChIKey is FRXOZURIBKGIAL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,5-10)6-3-4-7(12)11(6)8(13)14/h6H,3-4H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid?
(2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanopropan-2-yl)-5-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138487812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).