(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

C20H33FN4O — CID 46851650

About (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 46851650) has the molecular formula C20H33FN4O and a molecular weight of 364.51 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

• Compound Name: (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
• PubChem CID: 46851650
• Molecular Formula: C20H33FN4O
• Molecular Weight: 364.51 g/mol
• Exact Mass: 364.26
• IUPAC Name: (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
• SMILES: CC1(C)[C@@H](CN2CCCC2)CC[C@@]1(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
• InChI: InChI=1S/C20H33FN4O/c1-19(2)15(13-24-8-4-5-9-24)6-7-20(19,3)23-12-18(26)25-14-16(21)10-17(25)11-22/h15-17,23H,4-10,12-14H2,1-3H3/t15-,16+,17+,20-/m1/s1
• InChIKey: IPPFNOFFNWNVBC-NHAYFPRASA-N
• XLogP: 2.33
• TPSA: 59.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.51
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?

The IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile (CID 46851650) is (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile.

What is the SMILES notation for (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?

The canonical SMILES for (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile is CC1(C)[C@@H](CN2CCCC2)CC[C@@]1(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N.

What is the InChIKey of (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?

The InChIKey is IPPFNOFFNWNVBC-NHAYFPRASA-N. The full InChI is InChI=1S/C20H33FN4O/c1-19(2)15(13-24-8-4-5-9-24)6-7-20(19,3)23-12-18(26)25-14-16(21)10-17(25)11-22/h15-17,23H,4-10,12-14H2,1-3H3/t15-,16+,17+,20-/m1/s1.

What are the key properties of (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?

(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 364.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-fluoro-1-[2-[[(1R,3S)-1,2,2-trimethyl-3-(pyrrolidin-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 46851650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).