2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid

C14H17NO4 — CID 104601736

IUPAC2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1C(=O)O)C1CCOC1
InChIInChI=1S/C14H17NO4/c1-15(11-6-7-19-9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyCXLQPXOBXMIRAL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds4

About 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 104601736) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID104601736
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1C(=O)O)C1CCOC1
InChIInChI=1S/C14H17NO4/c1-15(11-6-7-19-9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyCXLQPXOBXMIRAL-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 80717573
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
2-[2-[methyl(oxane-4-carbonyl)amino]ethyl]benzoic acid
CID 104546867
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
4-amino-N-methyl-N-(oxolan-3-yl)-4-phenylbutanamide
CID 81489574
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742039
N-methyl-N-(oxolan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 78947872
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid (CID 104601736) is 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid is CN(C(=O)Cc1ccccc1C(=O)O)C1CCOC1.
What is the InChIKey of 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is CXLQPXOBXMIRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(11-6-7-19-9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 104601736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).