(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid

C11H16N4O4 — CID 125014139

IUPAC(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
SMILESCc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)O)C1
InChIInChI=1S/C11H16N4O4/c1-7-8(13-19-12-7)5-10(16)15-4-3-14(2)9(6-15)11(17)18/h9H,3-6H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyWJYVQXWZEMNYQJ-VIFPVBQESA-N
MW268.27 g/mol
LogP-0.85
Rot. Bonds3

About (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid

(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid (PubChem CID 125014139) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
PubChem CID125014139
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
SMILESCc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)O)C1
InChIInChI=1S/C11H16N4O4/c1-7-8(13-19-12-7)5-10(16)15-4-3-14(2)9(6-15)11(17)18/h9H,3-6H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyWJYVQXWZEMNYQJ-VIFPVBQESA-N
XLogP-0.85
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2-chlorophenyl)methyl]-N,1-dimethyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxamide
CID 124949483
(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide
CID 125021863
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
(2S)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-1-methylpiperazine-2-carboxylic acid
CID 95210415
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride
CID 154910718
4-[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazine-2-carboxamide
CID 110085668
2-[3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069928
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125008288
(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160595
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid (CID 125014139) is (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid is Cc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid?
The InChIKey is WJYVQXWZEMNYQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-8(13-19-12-7)5-10(16)15-4-3-14(2)9(6-15)11(17)18/h9H,3-6H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid?
(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 125014139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).