(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid

C9H16N2O3 — CID 175521904

IUPAC(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC(=O)N1CC(C)N(C(=O)O)[C@@H](C)C1
InChIInChI=1S/C9H16N2O3/c1-6-4-10(8(3)12)5-7(2)11(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyAKWWERCZZZTZCN-PKPIPKONSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds

About (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid

(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 175521904) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID175521904
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC(=O)N1CC(C)N(C(=O)O)[C@@H](C)C1
InChIInChI=1S/C9H16N2O3/c1-6-4-10(8(3)12)5-7(2)11(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyAKWWERCZZZTZCN-PKPIPKONSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
CID 166542546
2,6-dimethyl-4-nitrosopiperazine-1-carboxylic acid
CID 45115699
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 67211888
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2-[(2R,6R)-4-acetyl-1-benzoyl-6-methylpiperazin-2-yl]acetic acid
CID 176721345
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 154945106
3,4-dimethyl-1,4-diazepane-1-carboxylic acid
CID 115102304
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid (CID 175521904) is (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid is CC(=O)N1CC(C)N(C(=O)O)[C@@H](C)C1.
What is the InChIKey of (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is AKWWERCZZZTZCN-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-4-10(8(3)12)5-7(2)11(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid?
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175521904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).