5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

C16H23N3O5 — CID 120689145

IUPAC5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H23N3O5/c1-15(2,3)24-12(20)6-7-16(4,5)19-13(21)10-8-18-11(9-17-10)14(22)23/h8-9H,6-7H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyBCMJSPQUYGTAAE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.81
Rot. Bonds6

About 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689145) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689145
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H23N3O5/c1-15(2,3)24-12(20)6-7-16(4,5)19-13(21)10-8-18-11(9-17-10)14(22)23/h8-9H,6-7H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyBCMJSPQUYGTAAE-UHFFFAOYSA-N
XLogP1.81
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 62043932
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
tert-butyl 4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoate
CID 11842914
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
CID 158312232

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 120689145) is 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is BCMJSPQUYGTAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-15(2,3)24-12(20)6-7-16(4,5)19-13(21)10-8-18-11(9-17-10)14(22)23/h8-9H,6-7H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).