(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione

C6H10N2O3 — CID 93496580

IUPAC(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)[C@@H](CO)NC1=O
InChIInChI=1S/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,4+/m0/s1
InChIKeyJJDWARJCLFFKRT-IUYQGCFVSA-N
MW158.16 g/mol
LogP-2.02
Rot. Bonds1

About (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione

(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione (PubChem CID 93496580) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
PubChem CID93496580
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)[C@@H](CO)NC1=O
InChIInChI=1S/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,4+/m0/s1
InChIKeyJJDWARJCLFFKRT-IUYQGCFVSA-N
XLogP-2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione (CID 93496580) is (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione is C[C@@H]1NC(=O)[C@@H](CO)NC1=O.
What is the InChIKey of (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is JJDWARJCLFFKRT-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,4+/m0/s1.
What are the key properties of (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione?
(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 158.16 g/mol, XLogP of -2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 93496580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).