1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile

C11H19FN4O — CID 23111136

IUPAC1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESCC(C)(CN)NCC(=O)N1CC(F)CC1C#N
InChIInChI=1S/C11H19FN4O/c1-11(2,7-14)15-5-10(17)16-6-8(12)3-9(16)4-13/h8-9,15H,3,5-7,14H2,1-2H3
InChIKeyLCPFTSPMJIOPPQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.22
Rot. Bonds4

About 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile

1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (PubChem CID 23111136) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
PubChem CID23111136
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESCC(C)(CN)NCC(=O)N1CC(F)CC1C#N
InChIInChI=1S/C11H19FN4O/c1-11(2,7-14)15-5-10(17)16-6-8(12)3-9(16)4-13/h8-9,15H,3,5-7,14H2,1-2H3
InChIKeyLCPFTSPMJIOPPQ-UHFFFAOYSA-N
XLogP-0.22
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (CID 23111136) is 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile is CC(C)(CN)NCC(=O)N1CC(F)CC1C#N.
What is the InChIKey of 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The InChIKey is LCPFTSPMJIOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-11(2,7-14)15-5-10(17)16-6-8(12)3-9(16)4-13/h8-9,15H,3,5-7,14H2,1-2H3.
What are the key properties of 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile?
1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-amino-2-methylpropan-2-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 23111136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).