(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile

C15H21FN4O — CID 11558374

IUPAC(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESN#CCC[C@H]1CC[C@@H](NCC(=O)N2C[C@@H](F)C[C@H]2C#N)C1
InChIInChI=1S/C15H21FN4O/c16-12-7-14(8-18)20(10-12)15(21)9-19-13-4-3-11(6-13)2-1-5-17/h11-14,19H,1-4,6-7,9-10H2/t11-,12-,13+,14-/m0/s1
InChIKeyQGNOGAFKDGNVQA-FQUUOJAGSA-N
MW292.36 g/mol
LogP1.51
Rot. Bonds5

About (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile

(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (PubChem CID 11558374) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
PubChem CID11558374
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESN#CCC[C@H]1CC[C@@H](NCC(=O)N2C[C@@H](F)C[C@H]2C#N)C1
InChIInChI=1S/C15H21FN4O/c16-12-7-14(8-18)20(10-12)15(21)9-19-13-4-3-11(6-13)2-1-5-17/h11-14,19H,1-4,6-7,9-10H2/t11-,12-,13+,14-/m0/s1
InChIKeyQGNOGAFKDGNVQA-FQUUOJAGSA-N
XLogP1.51
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (CID 11558374) is (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile is N#CCC[C@H]1CC[C@@H](NCC(=O)N2C[C@@H](F)C[C@H]2C#N)C1.
What is the InChIKey of (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The InChIKey is QGNOGAFKDGNVQA-FQUUOJAGSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-12-7-14(8-18)20(10-12)15(21)9-19-13-4-3-11(6-13)2-1-5-17/h11-14,19H,1-4,6-7,9-10H2/t11-,12-,13+,14-/m0/s1.
What are the key properties of (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
(2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-[[(1R,3R)-3-(2-cyanoethyl)cyclopentyl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 11558374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).