methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate

C8H12N3O2+ — CID 143359556

IUPACmethyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate
SMILESCOC(=O)C(N)c1ccc[nH+]c1N
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6(9)5-3-2-4-11-7(5)10/h2-4,6H,9H2,1H3,(H2,10,11)/p+1
InChIKeyJXYUZABAIOUBGU-UHFFFAOYSA-O
MW182.20 g/mol
LogP-0.74
Rot. Bonds2

About methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate

methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate (PubChem CID 143359556) has the molecular formula C8H12N3O2+ and a molecular weight of 182.20 g/mol. Its IUPAC name is methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate
PubChem CID143359556
Molecular FormulaC8H12N3O2+
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Namemethyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate
SMILESCOC(=O)C(N)c1ccc[nH+]c1N
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6(9)5-3-2-4-11-7(5)10/h2-4,6H,9H2,1H3,(H2,10,11)/p+1
InChIKeyJXYUZABAIOUBGU-UHFFFAOYSA-O
XLogP-0.74
TPSA92.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate?
The IUPAC name of methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate (CID 143359556) is methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate is COC(=O)C(N)c1ccc[nH+]c1N.
What is the InChIKey of methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate?
The InChIKey is JXYUZABAIOUBGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)6(9)5-3-2-4-11-7(5)10/h2-4,6H,9H2,1H3,(H2,10,11)/p+1.
What are the key properties of methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate?
methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate has a molecular weight of 182.20 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-aminopyridin-1-ium-3-yl)acetate is sourced from PubChem (CID 143359556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).