methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate

C12H15NO2 — CID 10774612

IUPACmethyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C12H15NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,8,10,13H,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHUSNZWYHFRIZPG-SCZZXKLOSA-N
MW205.26 g/mol
LogP2.15
Rot. Bonds1

About methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate

methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 10774612) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID10774612
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C12H15NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,8,10,13H,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHUSNZWYHFRIZPG-SCZZXKLOSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 10774612) is methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate is COC(=O)[C@H]1C[C@@H](C)Nc2ccccc21.
What is the InChIKey of methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is HUSNZWYHFRIZPG-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-6,8,10,13H,7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate?
methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 10774612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).