2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid

C19H21NO2 — CID 39226300

IUPAC2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,18(21)22)16-8-5-13(6-9-16)14-7-10-17-15(12-14)4-3-11-20-17/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyIDMNBOLCYVGNEH-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid

2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid (PubChem CID 39226300) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
PubChem CID39226300
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,18(21)22)16-8-5-13(6-9-16)14-7-10-17-15(12-14)4-3-11-20-17/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyIDMNBOLCYVGNEH-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
N-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine
CID 116998112
4-tert-butyl-N-[1-oxo-3-[4-[5-(1,2,3,4-tetrahydroquinolin-6-yl)pyrimidin-2-yl]phenyl]propan-2-yl]benzamide
CID 155130859
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid (CID 39226300) is 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid?
The InChIKey is IDMNBOLCYVGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,18(21)22)16-8-5-13(6-9-16)14-7-10-17-15(12-14)4-3-11-20-17/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid?
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid is sourced from PubChem (CID 39226300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).