3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

C14H19NO4 — CID 43214257

IUPAC3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCC(C)C(C)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)10(3)15-13(16)8-19-12-6-4-5-11(7-12)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLTECEGQSEJHJJZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds6

About 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (PubChem CID 43214257) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
PubChem CID43214257
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCC(C)C(C)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9(2)10(3)15-13(16)8-19-12-6-4-5-11(7-12)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLTECEGQSEJHJJZ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 46806226
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
4-amino-3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61489341
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (CID 43214257) is 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is CC(C)C(C)NC(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is LTECEGQSEJHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)10(3)15-13(16)8-19-12-6-4-5-11(7-12)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).