5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid

C14H19NO4 — CID 45304092

IUPAC5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
SMILESCc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)7-15-13(16)8-19-12-5-4-10(3)6-11(12)14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZPXOIACMZVMMIA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds6

About 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid

5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid (PubChem CID 45304092) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
PubChem CID45304092
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
SMILESCc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)7-15-13(16)8-19-12-5-4-10(3)6-11(12)14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZPXOIACMZVMMIA-UHFFFAOYSA-N
XLogP1.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
4-bromo-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 114103812
5-methyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoic acid
CID 60652928
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79158684
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid (CID 45304092) is 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid is Cc1ccc(OCC(=O)NCC(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is ZPXOIACMZVMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)7-15-13(16)8-19-12-5-4-10(3)6-11(12)14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid?
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 45304092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).