2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid

C14H19N3O3 — CID 61014498

IUPAC2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
SMILESCc1cnc(C(=O)NC(C(=O)O)C2CCCCC2)cn1
InChIInChI=1S/C14H19N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJQMFEANPMZOQL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds4

About 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid (PubChem CID 61014498) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
PubChem CID61014498
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
SMILESCc1cnc(C(=O)NC(C(=O)O)C2CCCCC2)cn1
InChIInChI=1S/C14H19N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJQMFEANPMZOQL-UHFFFAOYSA-N
XLogP1.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-5-methylpyrazine-2-carboxamide
CID 67556738
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 137363195
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
2-cyclohexyl-2-[(3,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 65417741
2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 67395867
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
CID 61152011
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610346
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid (CID 61014498) is 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid is Cc1cnc(C(=O)NC(C(=O)O)C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid?
The InChIKey is NJQMFEANPMZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-16-11(8-15-9)13(18)17-12(14(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61014498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).