3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid

C8H9F2N3O2 — CID 84682444

IUPAC3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
SMILESNCC(C(=O)O)c1cnc(C(F)F)cn1
InChIInChI=1S/C8H9F2N3O2/c9-7(10)6-3-12-5(2-13-6)4(1-11)8(14)15/h2-4,7H,1,11H2,(H,14,15)
InChIKeyNSQBNFSMQGQULG-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid

3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid (PubChem CID 84682444) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
PubChem CID84682444
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
SMILESNCC(C(=O)O)c1cnc(C(F)F)cn1
InChIInChI=1S/C8H9F2N3O2/c9-7(10)6-3-12-5(2-13-6)4(1-11)8(14)15/h2-4,7H,1,11H2,(H,14,15)
InChIKeyNSQBNFSMQGQULG-UHFFFAOYSA-N
XLogP0.54
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079
3-amino-2-(1,3,5-triazin-2-yl)propanoic acid
CID 68606798
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821
3-amino-2-pyrido[2,3-b]pyrazin-6-ylpropanoic acid
CID 84683508
2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
CID 123532816
2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671273
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694286
2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130095692
3-amino-2-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]propanoic acid
CID 117401121
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253
2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 118809173

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid (CID 84682444) is 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid is NCC(C(=O)O)c1cnc(C(F)F)cn1.
What is the InChIKey of 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
The InChIKey is NSQBNFSMQGQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-7(10)6-3-12-5(2-13-6)4(1-11)8(14)15/h2-4,7H,1,11H2,(H,14,15).
What are the key properties of 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid?
3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid has a molecular weight of 217.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 84682444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).