2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid

C16H21NO5 — CID 82372106

IUPAC2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-9-8-16(21,10-13(18)19)11-6-4-5-7-12(11)17/h4-7,21H,8-10H2,1-3H3,(H,18,19)
InChIKeySLOJVFJSBVODTP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.49
Rot. Bonds2

About 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid

2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid (PubChem CID 82372106) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
PubChem CID82372106
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-9-8-16(21,10-13(18)19)11-6-4-5-7-12(11)17/h4-7,21H,8-10H2,1-3H3,(H,18,19)
InChIKeySLOJVFJSBVODTP-UHFFFAOYSA-N
XLogP2.49
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid with MolForge

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Related Compounds

tert-butyl 3-hydroxy-3-(2-methylphenyl)-2-oxopyrrolidine-1-carboxylate
CID 142697827
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]acetic acid
CID 42544072
tert-butyl 6-acetyl-4,4-difluoro-2,3-dihydroquinoline-1-carboxylate
CID 155894795
tert-butyl 4,4-dimethyl-7-nitro-2,3-dihydroquinoline-1-carboxylate
CID 57470253
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
tert-butyl (4S)-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 163342101
1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
CID 121383681
tert-butyl 6-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-phenyl-4,5-dihydropyrimidine-3-carboxylate
CID 58057526

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid (CID 82372106) is 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid is CC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid?
The InChIKey is SLOJVFJSBVODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-9-8-16(21,10-13(18)19)11-6-4-5-7-12(11)17/h4-7,21H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid?
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid is sourced from PubChem (CID 82372106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).