ethyl 2-amino-3-quinolin-2-ylpropanoate

C14H16N2O2 — CID 5002488

IUPACethyl 2-amino-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)12(15)9-11-8-7-10-5-3-4-6-13(10)16-11/h3-8,12H,2,9,15H2,1H3
InChIKeyASNLEDOYGXANJC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.67
Rot. Bonds4

About ethyl 2-amino-3-quinolin-2-ylpropanoate

ethyl 2-amino-3-quinolin-2-ylpropanoate (PubChem CID 5002488) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-amino-3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-quinolin-2-ylpropanoate
PubChem CID5002488
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-amino-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)12(15)9-11-8-7-10-5-3-4-6-13(10)16-11/h3-8,12H,2,9,15H2,1H3
InChIKeyASNLEDOYGXANJC-UHFFFAOYSA-N
XLogP1.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-3-quinolin-2-ylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
ethyl (2S)-2-cyano-3-quinolin-2-ylpropanoate
CID 98041403
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
prop-2-enyl (2S,5S)-5-amino-4-oxo-2-propan-2-yl-6-quinolin-2-ylhexanoate
CID 58206147
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
5-ethoxy-1-quinolin-2-ylpentan-2-amine
CID 105159235
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
3-ethoxy-2-methyl-3-oxo-2-(quinolin-2-ylmethyl)propanoic acid
CID 103973764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-quinolin-2-ylpropanoate?
The IUPAC name of ethyl 2-amino-3-quinolin-2-ylpropanoate (CID 5002488) is ethyl 2-amino-3-quinolin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-quinolin-2-ylpropanoate?
The canonical SMILES for ethyl 2-amino-3-quinolin-2-ylpropanoate is CCOC(=O)C(N)Cc1ccc2ccccc2n1.
What is the InChIKey of ethyl 2-amino-3-quinolin-2-ylpropanoate?
The InChIKey is ASNLEDOYGXANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)12(15)9-11-8-7-10-5-3-4-6-13(10)16-11/h3-8,12H,2,9,15H2,1H3.
What are the key properties of ethyl 2-amino-3-quinolin-2-ylpropanoate?
ethyl 2-amino-3-quinolin-2-ylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-quinolin-2-ylpropanoate is sourced from PubChem (CID 5002488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).