3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid

C14H19NO4 — CID 43214241

IUPAC3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
SMILESCCCC(C)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-10(2)15-13(16)9-19-12-7-4-6-11(8-12)14(17)18/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGDMSEPCTSSFMFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds7

About 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid

3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid (PubChem CID 43214241) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
PubChem CID43214241
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
SMILESCCCC(C)NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-10(2)15-13(16)9-19-12-7-4-6-11(8-12)14(17)18/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGDMSEPCTSSFMFQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
3-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107673863
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 7590033
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The IUPAC name of 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid (CID 43214241) is 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid is CCCC(C)NC(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
The InChIKey is GDMSEPCTSSFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-10(2)15-13(16)9-19-12-7-4-6-11(8-12)14(17)18/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid?
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid is sourced from PubChem (CID 43214241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).