1-(2-aminoacetyl)pyrrolidine-2-carbonitrile

C7H11N3O — CID 22181694

IUPAC1-(2-aminoacetyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CN
InChIInChI=1S/C7H11N3O/c8-4-6-2-1-3-10(6)7(11)5-9/h6H,1-3,5,9H2
InChIKeyXDOMURQNGATABE-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.54
Rot. Bonds1

About 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile

1-(2-aminoacetyl)pyrrolidine-2-carbonitrile (PubChem CID 22181694) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-aminoacetyl)pyrrolidine-2-carbonitrile
PubChem CID22181694
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(2-aminoacetyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CN
InChIInChI=1S/C7H11N3O/c8-4-6-2-1-3-10(6)7(11)5-9/h6H,1-3,5,9H2
InChIKeyXDOMURQNGATABE-UHFFFAOYSA-N
XLogP-0.54
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
CID 10932707
(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11117606
1-(2-Cyclohexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 9795464
1-(2-Cyclobutylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10375745
1-(2-Cyclopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10420127
1-(2-Propylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10943400
1-(2-Pentylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11053284
1-(2-Hexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11075465
1-(2-Ethylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11084500
1-(2-Butylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11085063
1-[2-(1-Ethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127914
1-(2-Isopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11138020

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile (CID 22181694) is 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile?
The InChIKey is XDOMURQNGATABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-4-6-2-1-3-10(6)7(11)5-9/h6H,1-3,5,9H2.
What are the key properties of 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile?
1-(2-aminoacetyl)pyrrolidine-2-carbonitrile has a molecular weight of 153.18 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 22181694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).