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

C12H15NO2 — CID 67722375

IUPACmethyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)c2ccccc2N1
InChIInChI=1S/C12H15NO2/c1-8-7-11(12(14)15-2)13-10-6-4-3-5-9(8)10/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyUWXNFVRGMDIWTH-LDYMZIIASA-N
MW205.26 g/mol
LogP2.15
Rot. Bonds1

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

methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate (PubChem CID 67722375) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
PubChem CID67722375
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C)c2ccccc2N1
InChIInChI=1S/C12H15NO2/c1-8-7-11(12(14)15-2)13-10-6-4-3-5-9(8)10/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyUWXNFVRGMDIWTH-LDYMZIIASA-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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Related Compounds

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CID 113306186
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
methyl (2S)-4-benzyl-5-oxopyrrolidine-2-carboxylate
CID 67460134
(2-ethoxycarbonyl-1,2,3,4-tetrahydroquinolin-4-yl)methylphosphonic acid
CID 56629985
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
methyl (2S,4S)-4-benzoyloxy-5-oxopyrrolidine-2-carboxylate
CID 10611558
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
methyl 4-oxo-1,2,3,5-tetrahydro-1-benzazepine-5-carboxylate
CID 84684559
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
methyl (2S,3S,4R)-4-anilino-2-cyclopropyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 90428800

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate (CID 67722375) is methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate is COC(=O)[C@H]1C[C@@H](C)c2ccccc2N1.
What is the InChIKey of methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The InChIKey is UWXNFVRGMDIWTH-LDYMZIIASA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-7-11(12(14)15-2)13-10-6-4-3-5-9(8)10/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-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,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 67722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).