2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid

C11H14ClN3O3 — CID 107371615

IUPAC2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-3-11(4-2,10(17)18)15-9(16)7-5-14-8(12)6-13-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCTGDLWSTARNLFL-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.50
Rot. Bonds5

About 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid

2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 107371615) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID107371615
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-3-11(4-2,10(17)18)15-9(16)7-5-14-8(12)6-13-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCTGDLWSTARNLFL-UHFFFAOYSA-N
XLogP1.50
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
CID 79807322
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 107371744
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 114269512

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid (CID 107371615) is 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1cnc(Cl)cn1)C(=O)O.
What is the InChIKey of 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is CTGDLWSTARNLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-11(4-2,10(17)18)15-9(16)7-5-14-8(12)6-13-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid?
2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 107371615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).