1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

C12H18N4O2 — CID 72990890

IUPAC1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCC(C)(CO)NCC(=O)N1C(C#N)CCC1C#N
InChIInChI=1S/C12H18N4O2/c1-12(2,8-17)15-7-11(18)16-9(5-13)3-4-10(16)6-14/h9-10,15,17H,3-4,7-8H2,1-2H3
InChIKeyGDYIRHKDJLPJTB-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.25
Rot. Bonds4

About 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (PubChem CID 72990890) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
PubChem CID72990890
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESCC(C)(CO)NCC(=O)N1C(C#N)CCC1C#N
InChIInChI=1S/C12H18N4O2/c1-12(2,8-17)15-7-11(18)16-9(5-13)3-4-10(16)6-14/h9-10,15,17H,3-4,7-8H2,1-2H3
InChIKeyGDYIRHKDJLPJTB-UHFFFAOYSA-N
XLogP-0.25
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (CID 72990890) is 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is CC(C)(CO)NCC(=O)N1C(C#N)CCC1C#N.
What is the InChIKey of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The InChIKey is GDYIRHKDJLPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,8-17)15-7-11(18)16-9(5-13)3-4-10(16)6-14/h9-10,15,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile has a molecular weight of 250.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 72990890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).