2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide

C15H24N4O2 — CID 11415118

IUPAC2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESC[C@@H]1N[C@H](C(=O)N2CCC[C@H]2C#N)C[C@@H]1CC(=O)N(C)C
InChIInChI=1S/C15H24N4O2/c1-10-11(8-14(20)18(2)3)7-13(17-10)15(21)19-6-4-5-12(19)9-16/h10-13,17H,4-8H2,1-3H3/t10-,11+,12-,13-/m0/s1
InChIKeyMWQLVWRZDRXKCN-RNJOBUHISA-N
MW292.38 g/mol
LogP0.35
Rot. Bonds3

About 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide

2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide (PubChem CID 11415118) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide
PubChem CID11415118
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESC[C@@H]1N[C@H](C(=O)N2CCC[C@H]2C#N)C[C@@H]1CC(=O)N(C)C
InChIInChI=1S/C15H24N4O2/c1-10-11(8-14(20)18(2)3)7-13(17-10)15(21)19-6-4-5-12(19)9-16/h10-13,17H,4-8H2,1-3H3/t10-,11+,12-,13-/m0/s1
InChIKeyMWQLVWRZDRXKCN-RNJOBUHISA-N
XLogP0.35
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide (CID 11415118) is 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide is C[C@@H]1N[C@H](C(=O)N2CCC[C@H]2C#N)C[C@@H]1CC(=O)N(C)C.
What is the InChIKey of 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is MWQLVWRZDRXKCN-RNJOBUHISA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-11(8-14(20)18(2)3)7-13(17-10)15(21)19-6-4-5-12(19)9-16/h10-13,17H,4-8H2,1-3H3/t10-,11+,12-,13-/m0/s1.
What are the key properties of 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide?
2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methylpyrrolidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11415118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).