2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid

C11H15N3O3 — CID 54925819

IUPAC2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O3/c1-3-8(2)14(7-10(15)16)11(17)9-6-12-4-5-13-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyKKYNCLVFUBEZAV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.80
Rot. Bonds5

About 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid

2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid (PubChem CID 54925819) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
PubChem CID54925819
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnccn1
InChIInChI=1S/C11H15N3O3/c1-3-8(2)14(7-10(15)16)11(17)9-6-12-4-5-13-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyKKYNCLVFUBEZAV-UHFFFAOYSA-N
XLogP0.80
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
CID 5198140
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
2-[butan-2-yl-(3,4,5-trichloropyridine-2-carbonyl)amino]acetic acid
CID 60827580
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
CID 120529873
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
CID 119052947

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid (CID 54925819) is 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cnccn1.
What is the InChIKey of 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid?
The InChIKey is KKYNCLVFUBEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-8(2)14(7-10(15)16)11(17)9-6-12-4-5-13-9/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid?
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 54925819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).