1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H15N3O3 — CID 81362499

IUPAC1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cnc(C(=O)NCC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C12H15N3O3/c1-8-5-14-9(6-13-8)10(16)15-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPZCTVHKSITUPK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.77
Rot. Bonds4

About 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362499) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362499
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cnc(C(=O)NCC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C12H15N3O3/c1-8-5-14-9(6-13-8)10(16)15-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyIPZCTVHKSITUPK-UHFFFAOYSA-N
XLogP0.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543687
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81362499) is 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is Cc1cnc(C(=O)NCC2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is IPZCTVHKSITUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-5-14-9(6-13-8)10(16)15-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).