(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile

C16H24FN3O — CID 90399415

IUPAC(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile
SMILESC=C(F)C1(C(N)C(=O)N2[C@H](C#N)C[C@H](C)[C@@H]2C)CCCC1
InChIInChI=1S/C16H24FN3O/c1-10-8-13(9-18)20(11(10)2)15(21)14(19)16(12(3)17)6-4-5-7-16/h10-11,13-14H,3-8,19H2,1-2H3/t10-,11-,13-,14?/m0/s1
InChIKeyGLFQABQBXJJUDI-FZPFVPFESA-N
MW293.39 g/mol
LogP2.51
Rot. Bonds3

About (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile

(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile (PubChem CID 90399415) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile
PubChem CID90399415
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile
SMILESC=C(F)C1(C(N)C(=O)N2[C@H](C#N)C[C@H](C)[C@@H]2C)CCCC1
InChIInChI=1S/C16H24FN3O/c1-10-8-13(9-18)20(11(10)2)15(21)14(19)16(12(3)17)6-4-5-7-16/h10-11,13-14H,3-8,19H2,1-2H3/t10-,11-,13-,14?/m0/s1
InChIKeyGLFQABQBXJJUDI-FZPFVPFESA-N
XLogP2.51
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile (CID 90399415) is (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile is C=C(F)C1(C(N)C(=O)N2[C@H](C#N)C[C@H](C)[C@@H]2C)CCCC1.
What is the InChIKey of (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile?
The InChIKey is GLFQABQBXJJUDI-FZPFVPFESA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10-8-13(9-18)20(11(10)2)15(21)14(19)16(12(3)17)6-4-5-7-16/h10-11,13-14H,3-8,19H2,1-2H3/t10-,11-,13-,14?/m0/s1.
What are the key properties of (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile?
(2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile has a molecular weight of 293.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-1-[2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 90399415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).