(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

C14H20N4O — CID 11550675

IUPAC(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCC1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1
InChIInChI=1S/C14H20N4O/c1-14(6-2-3-7-14)17-10-13(19)18-11(8-15)4-5-12(18)9-16/h11-12,17H,2-7,10H2,1H3/t11-,12+
InChIKeyUKVYWLXLQBSWDK-TXEJJXNPSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds3

About (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (PubChem CID 11550675) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
PubChem CID11550675
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCC1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1
InChIInChI=1S/C14H20N4O/c1-14(6-2-3-7-14)17-10-13(19)18-11(8-15)4-5-12(18)9-16/h11-12,17H,2-7,10H2,1H3/t11-,12+
InChIKeyUKVYWLXLQBSWDK-TXEJJXNPSA-N
XLogP1.32
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-1-(N-cyclopentylglycyl)-5-methylpyrrolidine-2-carbonitrile
CID 10243173
(2S,5R)-1-(N-cyclopentylglycyl)-5-prop-1-ynylpyrrolidine-2-carbonitrile
CID 10445283
(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
CID 10932707
(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11117606
1-[2-(3,3-Dimethyl-butylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 9903629
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-Butylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11085063
1-[2-(1-Ethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127914
1-[2-(1,1-Dimethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127915
1-(2-Isopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11138020

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (CID 11550675) is (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is CC1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1.
What is the InChIKey of (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The InChIKey is UKVYWLXLQBSWDK-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(6-2-3-7-14)17-10-13(19)18-11(8-15)4-5-12(18)9-16/h11-12,17H,2-7,10H2,1H3/t11-,12+.
What are the key properties of (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
(2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[2-[(1-methylcyclopentyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 11550675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).