ethyl 5-(2-aminopropyl)pyridine-2-carboxylate

C11H16N2O2 — CID 15067117

IUPACethyl 5-(2-aminopropyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(CC(C)N)cn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)10-5-4-9(7-13-10)6-8(2)12/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyIQWDQZZIIFUGHI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.15
Rot. Bonds4

About ethyl 5-(2-aminopropyl)pyridine-2-carboxylate

ethyl 5-(2-aminopropyl)pyridine-2-carboxylate (PubChem CID 15067117) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 5-(2-aminopropyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminopropyl)pyridine-2-carboxylate
PubChem CID15067117
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 5-(2-aminopropyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(CC(C)N)cn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)10-5-4-9(7-13-10)6-8(2)12/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyIQWDQZZIIFUGHI-UHFFFAOYSA-N
XLogP1.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-aminopropyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(2-aminopropyl)pyridine-2-carboxylate (CID 15067117) is ethyl 5-(2-aminopropyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminopropyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(2-aminopropyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(CC(C)N)cn1.
What is the InChIKey of ethyl 5-(2-aminopropyl)pyridine-2-carboxylate?
The InChIKey is IQWDQZZIIFUGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)10-5-4-9(7-13-10)6-8(2)12/h4-5,7-8H,3,6,12H2,1-2H3.
What are the key properties of ethyl 5-(2-aminopropyl)pyridine-2-carboxylate?
ethyl 5-(2-aminopropyl)pyridine-2-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminopropyl)pyridine-2-carboxylate is sourced from PubChem (CID 15067117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).