2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

C14H19NO4 — CID 43214922

IUPAC2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-14(2,3)15-12(16)9-19-11-8-6-5-7-10(11)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQLVAMJXGJGEKED-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (PubChem CID 43214922) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
PubChem CID43214922
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-14(2,3)15-12(16)9-19-11-8-6-5-7-10(11)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQLVAMJXGJGEKED-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-[2-[1-(methylamino)propyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486404
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 103604623
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
2-ethoxybenzoic acid;zinc
CID 172723273
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (CID 43214922) is 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is CCC(C)(C)NC(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is QLVAMJXGJGEKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-14(2,3)15-12(16)9-19-11-8-6-5-7-10(11)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).