2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid

C14H19NO4 — CID 43214287

IUPAC2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
SMILESCC(C)CCNC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-15-13(16)9-19-12-6-4-3-5-11(12)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHGQTVGLFSJGTSD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds7

About 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid

2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid (PubChem CID 43214287) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
PubChem CID43214287
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
SMILESCC(C)CCNC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-15-13(16)9-19-12-6-4-3-5-11(12)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHGQTVGLFSJGTSD-UHFFFAOYSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943758
2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 60529536
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 61486884
2-(8-methylnonoxy)benzoic acid
CID 22075682
2-(18-methylnonadecoxy)benzoic acid
CID 172718399
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2629654
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid (CID 43214287) is 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid is CC(C)CCNC(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is HGQTVGLFSJGTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)7-8-15-13(16)9-19-12-6-4-3-5-11(12)14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid?
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).