methyl 2-amino-2-pyridin-3-ylpropanoate

C9H12N2O2 — CID 57325131

IUPACmethyl 2-amino-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(N)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-9(10,8(12)13-2)7-4-3-5-11-6-7/h3-6H,10H2,1-2H3
InChIKeyZRYXOGOJDQMBEL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.43
Rot. Bonds2

About methyl 2-amino-2-pyridin-3-ylpropanoate

methyl 2-amino-2-pyridin-3-ylpropanoate (PubChem CID 57325131) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 2-amino-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-pyridin-3-ylpropanoate
PubChem CID57325131
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 2-amino-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(C)(N)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-9(10,8(12)13-2)7-4-3-5-11-6-7/h3-6H,10H2,1-2H3
InChIKeyZRYXOGOJDQMBEL-UHFFFAOYSA-N
XLogP0.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.43
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-ylpropanoate?
The IUPAC name of methyl 2-amino-2-pyridin-3-ylpropanoate (CID 57325131) is methyl 2-amino-2-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 2-amino-2-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 2-amino-2-pyridin-3-ylpropanoate is COC(=O)C(C)(N)c1cccnc1.
What is the InChIKey of methyl 2-amino-2-pyridin-3-ylpropanoate?
The InChIKey is ZRYXOGOJDQMBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(10,8(12)13-2)7-4-3-5-11-6-7/h3-6H,10H2,1-2H3.
What are the key properties of methyl 2-amino-2-pyridin-3-ylpropanoate?
methyl 2-amino-2-pyridin-3-ylpropanoate has a molecular weight of 180.21 g/mol, XLogP of 0.43, 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-ylpropanoate is sourced from PubChem (CID 57325131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).