(3S)-3-(2-methylpropyl)piperazine-2,5-dione

C8H14N2O2 — CID 927723

IUPAC(3S)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyVQFHWKRNHGHZTK-LURJTMIESA-N
MW170.21 g/mol
LogP-0.35
Rot. Bonds2

About (3S)-3-(2-methylpropyl)piperazine-2,5-dione

(3S)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 927723) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID927723
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3S)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyVQFHWKRNHGHZTK-LURJTMIESA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-(2-methylpropyl)piperazine-2,5-dione (CID 927723) is (3S)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)C[C@@H]1NC(=O)CNC1=O.
What is the InChIKey of (3S)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VQFHWKRNHGHZTK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropyl)piperazine-2,5-dione?
(3S)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 927723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).