(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione

C11H20N2O3 — CID 162402850

IUPAC(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@H]1C(=O)N[C@@](C)(CO)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-5-7(2)8-9(15)12-11(3,6-14)10(16)13(8)4/h7-8,14H,5-6H2,1-4H3,(H,12,15)/t7-,8-,11-/m0/s1
InChIKeyZNDARRTUWIWQLW-LAEOZQHASA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds3

About (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione

(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione (PubChem CID 162402850) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione
PubChem CID162402850
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione
SMILESCC[C@H](C)[C@H]1C(=O)N[C@@](C)(CO)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-5-7(2)8-9(15)12-11(3,6-14)10(16)13(8)4/h7-8,14H,5-6H2,1-4H3,(H,12,15)/t7-,8-,11-/m0/s1
InChIKeyZNDARRTUWIWQLW-LAEOZQHASA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

(3S,6S)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57396597
(3S,6S)-3-[(1R)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 57403608
Cyclo-(Ile-Ser)
CID 130994208
(3S,6S)-3-[(1R)-1-hydroxyethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 163108730
(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 23577413
Ile-Ser-Ala
CID 145456255
Ile-Ser-Gly
CID 145456261
Ser-Ile-Ala
CID 145457773
Ser-Ile-Gly
CID 145457779
(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 162944960
(1,3-Dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 133188424
5-Ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
CID 134975578

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione (CID 162402850) is (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione is CC[C@H](C)[C@H]1C(=O)N[C@@](C)(CO)C(=O)N1C.
What is the InChIKey of (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione?
The InChIKey is ZNDARRTUWIWQLW-LAEOZQHASA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-7(2)8-9(15)12-11(3,6-14)10(16)13(8)4/h7-8,14H,5-6H2,1-4H3,(H,12,15)/t7-,8-,11-/m0/s1.
What are the key properties of (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione?
(3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-1,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 162402850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).