(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

C11H13NO3 — CID 96616866

IUPAC(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCOc1cccc2c1NC[C@H](C(=O)O)C2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-4,8,12H,5-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyOUXJNEDFSALDFX-MRVPVSSYSA-N
MW207.23 g/mol
LogP1.36
Rot. Bonds2

About (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 96616866) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID96616866
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCOc1cccc2c1NC[C@H](C(=O)O)C2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-4,8,12H,5-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyOUXJNEDFSALDFX-MRVPVSSYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-8-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96622835
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;hydrochloride
CID 44665977
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
9-methoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid
CID 82388638
6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid
CID 151812922
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
CID 82277350
8-methoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165468231
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 96616866) is (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is COc1cccc2c1NC[C@H](C(=O)O)C2.
What is the InChIKey of (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is OUXJNEDFSALDFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-4,8,12H,5-6H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 96616866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).