(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile

C14H20FN3O — CID 58735774

IUPAC(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESC=CC1CCCC1[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C14H20FN3O/c1-2-9-4-3-5-12(9)13(17)14(19)18-8-10(15)6-11(18)7-16/h2,9-13H,1,3-6,8,17H2/t9?,10-,11-,12?,13-/m0/s1
InChIKeyLYVUGLCSEYDVQK-IJTJVXSJSA-N
MW265.33 g/mol
LogP1.38
Rot. Bonds3

About (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile

(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile (PubChem CID 58735774) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile
PubChem CID58735774
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESC=CC1CCCC1[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C14H20FN3O/c1-2-9-4-3-5-12(9)13(17)14(19)18-8-10(15)6-11(18)7-16/h2,9-13H,1,3-6,8,17H2/t9?,10-,11-,12?,13-/m0/s1
InChIKeyLYVUGLCSEYDVQK-IJTJVXSJSA-N
XLogP1.38
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile (CID 58735774) is (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile is C=CC1CCCC1[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N.
What is the InChIKey of (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The InChIKey is LYVUGLCSEYDVQK-IJTJVXSJSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-9-4-3-5-12(9)13(17)14(19)18-8-10(15)6-11(18)7-16/h2,9-13H,1,3-6,8,17H2/t9?,10-,11-,12?,13-/m0/s1.
What are the key properties of (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
(2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile has a molecular weight of 265.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2S)-2-amino-2-(2-ethenylcyclopentyl)acetyl]-4-fluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 58735774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).