ethyl 2-amino-2-pyridin-2-ylacetate

C9H12N2O2 — CID 4570669

IUPACethyl 2-amino-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(N)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)8(10)7-5-3-4-6-11-7/h3-6,8H,2,10H2,1H3
InChIKeyNAEPNWOYOBQMBP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.64
Rot. Bonds3

About ethyl 2-amino-2-pyridin-2-ylacetate

ethyl 2-amino-2-pyridin-2-ylacetate (PubChem CID 4570669) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 2-amino-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-pyridin-2-ylacetate
PubChem CID4570669
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 2-amino-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(N)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)8(10)7-5-3-4-6-11-7/h3-6,8H,2,10H2,1H3
InChIKeyNAEPNWOYOBQMBP-UHFFFAOYSA-N
XLogP0.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-pyridin-2-ylacetate?
The IUPAC name of ethyl 2-amino-2-pyridin-2-ylacetate (CID 4570669) is ethyl 2-amino-2-pyridin-2-ylacetate.
What is the SMILES notation for ethyl 2-amino-2-pyridin-2-ylacetate?
The canonical SMILES for ethyl 2-amino-2-pyridin-2-ylacetate is CCOC(=O)C(N)c1ccccn1.
What is the InChIKey of ethyl 2-amino-2-pyridin-2-ylacetate?
The InChIKey is NAEPNWOYOBQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9(12)8(10)7-5-3-4-6-11-7/h3-6,8H,2,10H2,1H3.
What are the key properties of ethyl 2-amino-2-pyridin-2-ylacetate?
ethyl 2-amino-2-pyridin-2-ylacetate has a molecular weight of 180.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-pyridin-2-ylacetate is sourced from PubChem (CID 4570669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).