ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate

C12H16N2O2 — CID 3808295

IUPACethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CCCC2
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyUDTDKVLABQUQKB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.72
Rot. Bonds2

About ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 3808295) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID3808295
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1N)CCCC2
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyUDTDKVLABQUQKB-UHFFFAOYSA-N
XLogP1.72
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 3808295) is ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1N)CCCC2.
What is the InChIKey of ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is UDTDKVLABQUQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h7H,2-6H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 3808295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).