(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid

C16H21NO3 — CID 125044616

IUPAC(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid
SMILESCOc1ccc2c(c1)N([C@H](C)C(=O)O)C(C)(C)C=C2C
InChIInChI=1S/C16H21NO3/c1-10-9-16(3,4)17(11(2)15(18)19)14-8-12(20-5)6-7-13(10)14/h6-9,11H,1-5H3,(H,18,19)/t11-/m1/s1
InChIKeyOPISBARIXNTPBA-LLVKDONJSA-N
MW275.35 g/mol
LogP3.17
Rot. Bonds3

About (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid

(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid (PubChem CID 125044616) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid
PubChem CID125044616
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid
SMILESCOc1ccc2c(c1)N([C@H](C)C(=O)O)C(C)(C)C=C2C
InChIInChI=1S/C16H21NO3/c1-10-9-16(3,4)17(11(2)15(18)19)14-8-12(20-5)6-7-13(10)14/h6-9,11H,1-5H3,(H,18,19)/t11-/m1/s1
InChIKeyOPISBARIXNTPBA-LLVKDONJSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
CID 7299544
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
2-(5-methoxy-3,3-dimethylinden-1-yl)propanoic acid
CID 14337591
(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
CID 1106522
2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide
CID 132649653
N-[(1R)-1-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethyl]-6-methoxy-2,2,4-trimethylquinoline-1-carboxamide
CID 6578442
1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline
CID 1118706
7-methoxy-2,2,4-trimethyl-1H-quinoline
CID 643478
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196
2-(4-methoxy-2-methylphenyl)sulfanylpropanoic acid
CID 82023699
[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7070264
methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate
CID 132649976

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid (CID 125044616) is (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid is COc1ccc2c(c1)N([C@H](C)C(=O)O)C(C)(C)C=C2C.
What is the InChIKey of (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid?
The InChIKey is OPISBARIXNTPBA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-9-16(3,4)17(11(2)15(18)19)14-8-12(20-5)6-7-13(10)14/h6-9,11H,1-5H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid?
(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid is sourced from PubChem (CID 125044616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).