ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate

C16H20N2O2 — CID 105379036

IUPACethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-20-16(19)14(10-17)9-12-5-7-15-13(8-12)6-4-11(2)18-15/h4-8,14H,3,9-10,17H2,1-2H3
InChIKeyDSMKGGFTTVGSOT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate

ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate (PubChem CID 105379036) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate
PubChem CID105379036
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-3-20-16(19)14(10-17)9-12-5-7-15-13(8-12)6-4-11(2)18-15/h4-8,14H,3,9-10,17H2,1-2H3
InChIKeyDSMKGGFTTVGSOT-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate (CID 105379036) is ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate is CCOC(=O)C(CN)Cc1ccc2nc(C)ccc2c1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate?
The InChIKey is DSMKGGFTTVGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-16(19)14(10-17)9-12-5-7-15-13(8-12)6-4-11(2)18-15/h4-8,14H,3,9-10,17H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate?
ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate has a molecular weight of 272.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate is sourced from PubChem (CID 105379036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).