2-[(6-chloropyrazin-2-yl)amino]propanoic acid

C7H8ClN3O2 — CID 114335356

IUPAC2-[(6-chloropyrazin-2-yl)amino]propanoic acid
SMILESCC(Nc1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C7H8ClN3O2/c1-4(7(12)13)10-6-3-9-2-5(8)11-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyVYBOKZKXODKQLJ-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.01
Rot. Bonds3

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

2-[(6-chloropyrazin-2-yl)amino]propanoic acid (PubChem CID 114335356) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-[(6-chloropyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-chloropyrazin-2-yl)amino]propanoic acid
PubChem CID114335356
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-[(6-chloropyrazin-2-yl)amino]propanoic acid
SMILESCC(Nc1cncc(Cl)n1)C(=O)O
InChIInChI=1S/C7H8ClN3O2/c1-4(7(12)13)10-6-3-9-2-5(8)11-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyVYBOKZKXODKQLJ-UHFFFAOYSA-N
XLogP1.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
6-chloro-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 61488509
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
2-N-(6-chloropyrazin-2-yl)-3-methylbutane-1,2-diamine
CID 116650856
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyrazin-2-amine
CID 65047983
6-chloro-N-methylpyrazin-2-amine
CID 26967011
N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
6-chloro-N-(4-cyclopropylbutan-2-yl)pyrazin-2-amine
CID 133480425
N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 104820050
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315
2-(6-chloropyrazin-2-yl)-1,1-dimethylhydrazine
CID 83020356

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-chloropyrazin-2-yl)amino]propanoic acid (CID 114335356) is 2-[(6-chloropyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-chloropyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-chloropyrazin-2-yl)amino]propanoic acid is CC(Nc1cncc(Cl)n1)C(=O)O.
What is the InChIKey of 2-[(6-chloropyrazin-2-yl)amino]propanoic acid?
The InChIKey is VYBOKZKXODKQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-4(7(12)13)10-6-3-9-2-5(8)11-6/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(6-chloropyrazin-2-yl)amino]propanoic acid?
2-[(6-chloropyrazin-2-yl)amino]propanoic acid has a molecular weight of 201.61 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 114335356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).