ethyl 3-(pyridin-2-ylamino)propanoate

C10H14N2O2 — CID 11984503

IUPACethyl 3-(pyridin-2-ylamino)propanoate
SMILESCCOC(=O)CCNc1ccccn1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)
InChIKeyUITNIDFEANEWPC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds5

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

ethyl 3-(pyridin-2-ylamino)propanoate (PubChem CID 11984503) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 3-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(pyridin-2-ylamino)propanoate
PubChem CID11984503
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 3-(pyridin-2-ylamino)propanoate
SMILESCCOC(=O)CCNc1ccccn1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)
InChIKeyUITNIDFEANEWPC-UHFFFAOYSA-N
XLogP1.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridin-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(pyridin-2-ylamino)propanoate (CID 11984503) is ethyl 3-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(pyridin-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(pyridin-2-ylamino)propanoate is CCOC(=O)CCNc1ccccn1.
What is the InChIKey of ethyl 3-(pyridin-2-ylamino)propanoate?
The InChIKey is UITNIDFEANEWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12).
What are the key properties of ethyl 3-(pyridin-2-ylamino)propanoate?
ethyl 3-(pyridin-2-ylamino)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 11984503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).