4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid

C9H12ClN3O2 — CID 114335486

IUPAC4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
SMILESCC(CCNc1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C9H12ClN3O2/c1-6(9(14)15)2-3-12-8-5-11-4-7(10)13-8/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyZMDZSZOTGAYMMM-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.65
Rot. Bonds5

About 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid

4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid (PubChem CID 114335486) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
PubChem CID114335486
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
SMILESCC(CCNc1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C9H12ClN3O2/c1-6(9(14)15)2-3-12-8-5-11-4-7(10)13-8/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyZMDZSZOTGAYMMM-UHFFFAOYSA-N
XLogP1.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
2-[(6-chloropyrazin-2-yl)amino]propanoic acid
CID 114335356
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]acetic acid
CID 114335475
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478
1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
CID 116650911
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
6-chloro-N-methylpyrazin-2-amine
CID 26967011
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
CID 62505407
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid (CID 114335486) is 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid is CC(CCNc1cncc(Cl)n1)C(=O)O.
What is the InChIKey of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid?
The InChIKey is ZMDZSZOTGAYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6(9(14)15)2-3-12-8-5-11-4-7(10)13-8/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid?
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid has a molecular weight of 229.67 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114335486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).