ethyl 3-(5-amino-2-pyridinyl)propanoate

C10H14N2O2 — CID 23349309

IUPACethyl 3-(5-amino-2-pyridinyl)propanoate
SMILESCCOC(=O)CCc1ccc(N)cn1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-5-9-4-3-8(11)7-12-9/h3-4,7H,2,5-6,11H2,1H3
InChIKeyJPZMBHLSKTVDRF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds4

About ethyl 3-(5-amino-2-pyridinyl)propanoate

ethyl 3-(5-amino-2-pyridinyl)propanoate (PubChem CID 23349309) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 3-(5-amino-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-2-pyridinyl)propanoate
PubChem CID23349309
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 3-(5-amino-2-pyridinyl)propanoate
SMILESCCOC(=O)CCc1ccc(N)cn1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)6-5-9-4-3-8(11)7-12-9/h3-4,7H,2,5-6,11H2,1H3
InChIKeyJPZMBHLSKTVDRF-UHFFFAOYSA-N
XLogP1.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-2-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(5-amino-2-pyridinyl)propanoate (CID 23349309) is ethyl 3-(5-amino-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(5-amino-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(5-amino-2-pyridinyl)propanoate is CCOC(=O)CCc1ccc(N)cn1.
What is the InChIKey of ethyl 3-(5-amino-2-pyridinyl)propanoate?
The InChIKey is JPZMBHLSKTVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)6-5-9-4-3-8(11)7-12-9/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of ethyl 3-(5-amino-2-pyridinyl)propanoate?
ethyl 3-(5-amino-2-pyridinyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-2-pyridinyl)propanoate is sourced from PubChem (CID 23349309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).