(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride

C11H17ClFN3O — CID 69351569

IUPAC(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C11H16FN3O.ClH/c12-7-4-8(5-13)15(6-7)11(16)9-2-1-3-10(9)14;/h7-10H,1-4,6,14H2;1H/t7-,8-,9-,10+;/m0./s1
InChIKeyZZXQFRFJKNSPNO-NWSWWLKVSA-N
MW261.73 g/mol
LogP1.00
Rot. Bonds1

About (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride

(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride (PubChem CID 69351569) has the molecular formula C11H17ClFN3O and a molecular weight of 261.73 g/mol. Its IUPAC name is (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
PubChem CID69351569
Molecular FormulaC11H17ClFN3O
Molecular Weight261.73 g/mol
Exact Mass261.10
IUPAC Name(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C11H16FN3O.ClH/c12-7-4-8(5-13)15(6-7)11(16)9-2-1-3-10(9)14;/h7-10H,1-4,6,14H2;1H/t7-,8-,9-,10+;/m0./s1
InChIKeyZZXQFRFJKNSPNO-NWSWWLKVSA-N
XLogP1.00
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride with MolForge

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Related Compounds

(2S,4S)-1-acetyl-4-fluoropyrrolidine-2-carbonitrile
CID 68785301
(2S,4R)-1-(2-bromoacetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 68787757
(2R,4R)-1-(2-bromoacetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 68785051
(2S,4R)-4-fluoro-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
CID 177013008
(2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride
CID 25099069
(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 12069344
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
(2S,4S)-1-[2-(tert-butylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 44560158
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 23111136
(2S,4S)-4-fluoro-1-[(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 25098555

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride?
The IUPAC name of (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride (CID 69351569) is (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride?
The canonical SMILES for (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride is Cl.N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[C@H]1N.
What is the InChIKey of (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride?
The InChIKey is ZZXQFRFJKNSPNO-NWSWWLKVSA-N. The full InChI is InChI=1S/C11H16FN3O.ClH/c12-7-4-8(5-13)15(6-7)11(16)9-2-1-3-10(9)14;/h7-10H,1-4,6,14H2;1H/t7-,8-,9-,10+;/m0./s1.
What are the key properties of (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride?
(2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride has a molecular weight of 261.73 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(1S,2R)-2-aminocyclopentanecarbonyl]-4-fluoropyrrolidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 69351569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).