methyl 3-(pyridin-2-ylamino)propanoate

C9H12N2O2 — CID 818199

IUPACmethyl 3-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccccn1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
InChIKeyCKZDJCJSSSCYFN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-(pyridin-2-ylamino)propanoate

methyl 3-(pyridin-2-ylamino)propanoate (PubChem CID 818199) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 3-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(pyridin-2-ylamino)propanoate
PubChem CID818199
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 3-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccccn1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
InChIKeyCKZDJCJSSSCYFN-UHFFFAOYSA-N
XLogP1.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(pyridin-2-ylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridin-2-ylamino)propanoate?
The IUPAC name of methyl 3-(pyridin-2-ylamino)propanoate (CID 818199) is methyl 3-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(pyridin-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(pyridin-2-ylamino)propanoate is COC(=O)CCNc1ccccn1.
What is the InChIKey of methyl 3-(pyridin-2-ylamino)propanoate?
The InChIKey is CKZDJCJSSSCYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11).
What are the key properties of methyl 3-(pyridin-2-ylamino)propanoate?
methyl 3-(pyridin-2-ylamino)propanoate has a molecular weight of 180.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 818199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).