(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione

C9H16N2O2 — CID 71359704

IUPAC(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-5(2)7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-,7-/m0/s1
InChIKeyJDRIJDPCYNFZIT-ACZMJKKPSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds2

About (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione

(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione (PubChem CID 71359704) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione
PubChem CID71359704
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-5(2)7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-,7-/m0/s1
InChIKeyJDRIJDPCYNFZIT-ACZMJKKPSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione (CID 71359704) is (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione is CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione?
The InChIKey is JDRIJDPCYNFZIT-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5(2)7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-,7-/m0/s1.
What are the key properties of (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione?
(3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-[(2S)-butan-2-yl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 71359704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).