(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile

C11H19N3O — CID 10932707

IUPAC(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O/c1-11(2,3)13-8-10(15)14-6-4-5-9(14)7-12/h9,13H,4-6,8H2,1-3H3/t9-/m0/s1
InChIKeyDAQJYQUHXSBGJM-VIFPVBQESA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds2

About (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10932707) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID10932707
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O/c1-11(2,3)13-8-10(15)14-6-4-5-9(14)7-12/h9,13H,4-6,8H2,1-3H3/t9-/m0/s1
InChIKeyDAQJYQUHXSBGJM-VIFPVBQESA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
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,5R)-1-(N-(tert-butyl)glycyl)-5-ethynylpyrrolidine-2-carbonitrile
CID 10376704
(2S,5R)-1-(N-cyclopentylglycyl)-5-prop-1-ynylpyrrolidine-2-carbonitrile
CID 10445283
(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11117606
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(propan-2-yl)ethanediamide
CID 3156743
1-(2-Cyclohexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 9795464
1-(2-Cycloheptylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 9882325
1-[2-(3,3-Dimethyl-butylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 9903629
Ile-Pro-CN
CID 10176680
1-(2-Cyclobutylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10375745
1-(2-Cyclopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10420127
1-(2-Cyclooctylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10879937

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile (CID 10932707) is (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile is CC(C)(C)NCC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is DAQJYQUHXSBGJM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)13-8-10(15)14-6-4-5-9(14)7-12/h9,13H,4-6,8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10932707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).