(3S)-3-methylpiperazine-2,5-dione

C5H8N2O2 — CID 7408474

IUPAC(3S)-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1
InChIKeyICCHEGCKVBMSTF-VKHMYHEASA-N
MW128.13 g/mol
LogP-1.38
Rot. Bonds

About (3S)-3-methylpiperazine-2,5-dione

(3S)-3-methylpiperazine-2,5-dione (PubChem CID 7408474) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3S)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methylpiperazine-2,5-dione
PubChem CID7408474
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(3S)-3-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)CNC1=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1
InChIKeyICCHEGCKVBMSTF-VKHMYHEASA-N
XLogP-1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-methylpiperazine-2,5-dione (CID 7408474) is (3S)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-methylpiperazine-2,5-dione is C[C@@H]1NC(=O)CNC1=O.
What is the InChIKey of (3S)-3-methylpiperazine-2,5-dione?
The InChIKey is ICCHEGCKVBMSTF-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1.
What are the key properties of (3S)-3-methylpiperazine-2,5-dione?
(3S)-3-methylpiperazine-2,5-dione has a molecular weight of 128.13 g/mol, XLogP of -1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 7408474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).