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

C14H16N2O2 — CID 64955956

IUPACethyl 3-amino-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)CC(N)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)9-11(15)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11H,2,9,15H2,1H3
InChIKeyVDPSEZLRDVGKCO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.19
Rot. Bonds4

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

ethyl 3-amino-3-quinolin-2-ylpropanoate (PubChem CID 64955956) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 3-amino-3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-quinolin-2-ylpropanoate
PubChem CID64955956
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 3-amino-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)CC(N)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-2-18-14(17)9-11(15)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11H,2,9,15H2,1H3
InChIKeyVDPSEZLRDVGKCO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
methyl (3S)-3-amino-3-(6-bromoquinolin-2-yl)propanoate
CID 165347669
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-quinolin-2-ylpropanoate?
The IUPAC name of ethyl 3-amino-3-quinolin-2-ylpropanoate (CID 64955956) is ethyl 3-amino-3-quinolin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-amino-3-quinolin-2-ylpropanoate?
The canonical SMILES for ethyl 3-amino-3-quinolin-2-ylpropanoate is CCOC(=O)CC(N)c1ccc2ccccc2n1.
What is the InChIKey of ethyl 3-amino-3-quinolin-2-ylpropanoate?
The InChIKey is VDPSEZLRDVGKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-14(17)9-11(15)13-8-7-10-5-3-4-6-12(10)16-13/h3-8,11H,2,9,15H2,1H3.
What are the key properties of ethyl 3-amino-3-quinolin-2-ylpropanoate?
ethyl 3-amino-3-quinolin-2-ylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-quinolin-2-ylpropanoate is sourced from PubChem (CID 64955956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).