(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile

C11H19N3O2 — CID 10987927

IUPAC(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(CO)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O2/c1-11(2,8-15)13-7-10(16)14-5-3-4-9(14)6-12/h9,13,15H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCJIQYGZLRMDVGI-VIFPVBQESA-N
MW225.29 g/mol
LogP-0.14
Rot. Bonds4

About (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10987927) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID10987927
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(CO)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O2/c1-11(2,8-15)13-7-10(16)14-5-3-4-9(14)6-12/h9,13,15H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCJIQYGZLRMDVGI-VIFPVBQESA-N
XLogP-0.14
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile (CID 10987927) is (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile is CC(C)(CO)NCC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is CJIQYGZLRMDVGI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,8-15)13-7-10(16)14-5-3-4-9(14)6-12/h9,13,15H,3-5,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10987927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).