4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid

C10H12ClN3O3 — CID 107371621

IUPAC4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-6(10(16)17)2-3-12-9(15)7-4-14-8(11)5-13-7/h4-6H,2-3H2,1H3,(H,12,15)(H,16,17)
InChIKeyWLKGOAPRCVLSGX-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.97
Rot. Bonds5

About 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid

4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 107371621) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID107371621
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-6(10(16)17)2-3-12-9(15)7-4-14-8(11)5-13-7/h4-6H,2-3H2,1H3,(H,12,15)(H,16,17)
InChIKeyWLKGOAPRCVLSGX-UHFFFAOYSA-N
XLogP0.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid (CID 107371621) is 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)c1cnc(Cl)cn1)C(=O)O.
What is the InChIKey of 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is WLKGOAPRCVLSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-6(10(16)17)2-3-12-9(15)7-4-14-8(11)5-13-7/h4-6H,2-3H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid?
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 257.68 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 107371621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).