(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile

C15H21N5O2 — CID 90655547

IUPAC(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESCN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C15H21N5O2/c1-18(10-14(21)19-6-2-4-12(19)8-16)11-15(22)20-7-3-5-13(20)9-17/h12-13H,2-7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyVHQNGIYGVDQVQD-STQMWFEESA-N
MW303.37 g/mol
LogP-0.05
Rot. Bonds4

About (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 90655547) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID90655547
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
SMILESCN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C15H21N5O2/c1-18(10-14(21)19-6-2-4-12(19)8-16)11-15(22)20-7-3-5-13(20)9-17/h12-13H,2-7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyVHQNGIYGVDQVQD-STQMWFEESA-N
XLogP-0.05
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile with MolForge

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Related Compounds

1-[2-[methyl(2-phenylethyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 22563410
1-[2-[amino(propan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10149801
1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile;propane
CID 142254427
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
CID 59269846
1-(2-aminoacetyl)piperidine-2-carbonitrile;butan-1-amine
CID 142937073
[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl] methanesulfonate
CID 87251070
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
tert-butyl N-[2-[bis[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-2-methylpropyl]carbamate
CID 123964798
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile (CID 90655547) is (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile is CN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is VHQNGIYGVDQVQD-STQMWFEESA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18(10-14(21)19-6-2-4-12(19)8-16)11-15(22)20-7-3-5-13(20)9-17/h12-13H,2-7,10-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 90655547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).