methyl 2-amino-2-pyridin-3-ylacetate

C8H10N2O2 — CID 45082574

IUPACmethyl 2-amino-2-pyridin-3-ylacetate
SMILESCOC(=O)C(N)c1cccnc1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,9H2,1H3
InChIKeyAHRUJZICYBJXIK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-amino-2-pyridin-3-ylacetate

methyl 2-amino-2-pyridin-3-ylacetate (PubChem CID 45082574) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-amino-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-amino-2-pyridin-3-ylacetate
PubChem CID45082574
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 2-amino-2-pyridin-3-ylacetate
SMILESCOC(=O)C(N)c1cccnc1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,9H2,1H3
InChIKeyAHRUJZICYBJXIK-UHFFFAOYSA-N
XLogP0.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-amino-2-pyridin-3-ylacetate (CID 45082574) is methyl 2-amino-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-amino-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-amino-2-pyridin-3-ylacetate is COC(=O)C(N)c1cccnc1.
What is the InChIKey of methyl 2-amino-2-pyridin-3-ylacetate?
The InChIKey is AHRUJZICYBJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,9H2,1H3.
What are the key properties of methyl 2-amino-2-pyridin-3-ylacetate?
methyl 2-amino-2-pyridin-3-ylacetate has a molecular weight of 166.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-pyridin-3-ylacetate is sourced from PubChem (CID 45082574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).