(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one

C12H25N3O — CID 79013019

IUPAC(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)10(13)11(16)15-7-6-14(5)12(3,4)8-15/h9-10H,6-8,13H2,1-5H3/t10-/m1/s1
InChIKeyHLZOTVICOPIJHV-SNVBAGLBSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds2

About (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one

(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one (PubChem CID 79013019) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
PubChem CID79013019
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)10(13)11(16)15-7-6-14(5)12(3,4)8-15/h9-10H,6-8,13H2,1-5H3/t10-/m1/s1
InChIKeyHLZOTVICOPIJHV-SNVBAGLBSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
2-(aminomethyl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 63609215
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495
(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
CID 119337436
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
CID 82851488
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2S)-2-amino-3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 87843578
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one (CID 79013019) is (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one is CC(C)[C@@H](N)C(=O)N1CCN(C)C(C)(C)C1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
The InChIKey is HLZOTVICOPIJHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)10(13)11(16)15-7-6-14(5)12(3,4)8-15/h9-10H,6-8,13H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one?
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 79013019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).