(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C11H17N3O — CID 11623929

IUPAC(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1
InChIInChI=1S/C11H17N3O/c1-8-4-5-10(13-8)11(15)14-6-2-3-9(14)7-12/h8-10,13H,2-6H2,1H3/t8-,9-,10-/m0/s1
InChIKeyKWIXGOTWXBBLCY-GUBZILKMSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds1

About (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 11623929) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID11623929
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1
InChIInChI=1S/C11H17N3O/c1-8-4-5-10(13-8)11(15)14-6-2-3-9(14)7-12/h8-10,13H,2-6H2,1H3/t8-,9-,10-/m0/s1
InChIKeyKWIXGOTWXBBLCY-GUBZILKMSA-N
XLogP0.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-1-(N-cyclopentylglycyl)-5-methylpyrrolidine-2-carbonitrile
CID 10243173
(2S)-1-{[(2S,5R)-5-ethylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11500939
(2S)-1-{[(2S,5R)-5-(propan-2-yl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11602713
(2S)-1-{[(2S,5S)-5-ethylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11638575
(2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2-carbonitrile
CID 18391459
(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
1-(2-Hexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11075465
2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide
CID 11415118
Lys-Pro-CN
CID 11481506
(S)-1-((2S,4S)-4-Cyclohexylamino-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonitrile
CID 44400504
(S)-1-((2S,4S)-4-Amino-pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonitrile
CID 44400588
(S)-1-((3S,5S)-3-propylpyrrolidine-5-carbonyl)pyrrolidine-2-carbonitrile
CID 44429117

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 11623929) is (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1.
What is the InChIKey of (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is KWIXGOTWXBBLCY-GUBZILKMSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-5-10(13-8)11(15)14-6-2-3-9(14)7-12/h8-10,13H,2-6H2,1H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11623929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).