ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate

C13H18N2O2 — CID 98041286

IUPACethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCc2cc(N)cnc21
InChIInChI=1S/C13H18N2O2/c1-2-17-12(16)7-10-5-3-4-9-6-11(14)8-15-13(9)10/h6,8,10H,2-5,7,14H2,1H3/t10-/m0/s1
InChIKeyGOUGDRGUIKLTRE-JTQLQIEISA-N
MW234.30 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate

ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate (PubChem CID 98041286) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate
PubChem CID98041286
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCc2cc(N)cnc21
InChIInChI=1S/C13H18N2O2/c1-2-17-12(16)7-10-5-3-4-9-6-11(14)8-15-13(9)10/h6,8,10H,2-5,7,14H2,1H3/t10-/m0/s1
InChIKeyGOUGDRGUIKLTRE-JTQLQIEISA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate?
The IUPAC name of ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate (CID 98041286) is ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate.
What is the SMILES notation for ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate?
The canonical SMILES for ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate is CCOC(=O)C[C@@H]1CCCc2cc(N)cnc21.
What is the InChIKey of ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate?
The InChIKey is GOUGDRGUIKLTRE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12(16)7-10-5-3-4-9-6-11(14)8-15-13(9)10/h6,8,10H,2-5,7,14H2,1H3/t10-/m0/s1.
What are the key properties of ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate?
ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate has a molecular weight of 234.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8S)-3-amino-5,6,7,8-tetrahydroquinolin-8-yl]acetate is sourced from PubChem (CID 98041286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).