4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid

C18H22N2O4 — CID 67824794

IUPAC4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)18(19,11-10-15(21)22)14-9-8-12-6-4-5-7-13(12)20-14/h4-9H,10-11,19H2,1-3H3,(H,21,22)
InChIKeyCJGOFMDWGBLKSO-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid

4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid (PubChem CID 67824794) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid
PubChem CID67824794
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCC(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)18(19,11-10-15(21)22)14-9-8-12-6-4-5-7-13(12)20-14/h4-9H,10-11,19H2,1-3H3,(H,21,22)
InChIKeyCJGOFMDWGBLKSO-UHFFFAOYSA-N
XLogP2.60
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid with MolForge

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Related Compounds

tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
CID 71307394
tert-butyl carbamate;2-phenylquinoline
CID 175279486
2-(2-phenylpropan-2-yl)quinoline
CID 151236236
tert-butyl 2-quinolin-2-ylpropanoate
CID 116645148
ditert-butyl (2S)-2-amino-2-(2-nitrophenyl)pentanedioate
CID 175893805
tert-butyl (2S)-2-amino-4-methylsulfonyloxy-2-phenylbutanoate
CID 87270659
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
2-tert-butylquinoline;methane
CID 164995315
2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
CID 70339310
3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one
CID 10406546
tert-butyl 2-amino-3-methylsulfonyl-2-phenylpropanoate
CID 67941966
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid?
The IUPAC name of 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid (CID 67824794) is 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid is CC(C)(C)OC(=O)C(N)(CCC(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid?
The InChIKey is CJGOFMDWGBLKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)18(19,11-10-15(21)22)14-9-8-12-6-4-5-7-13(12)20-14/h4-9H,10-11,19H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid?
4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-quinolin-2-ylpentanoic acid is sourced from PubChem (CID 67824794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).