methyl 2-(oxolane-2-carbonylamino)benzoate

C13H15NO4 — CID 2933313

IUPACmethyl 2-(oxolane-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H15NO4/c1-17-13(16)9-5-2-3-6-10(9)14-12(15)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15)
InChIKeyRBBLRGUKNBEQKE-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-(oxolane-2-carbonylamino)benzoate

methyl 2-(oxolane-2-carbonylamino)benzoate (PubChem CID 2933313) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-(oxolane-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(oxolane-2-carbonylamino)benzoate
PubChem CID2933313
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-(oxolane-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C13H15NO4/c1-17-13(16)9-5-2-3-6-10(9)14-12(15)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15)
InChIKeyRBBLRGUKNBEQKE-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
Ethyl N-ethylanthranilate
CID 61980
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
Colfenamate
CID 198806
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
Dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
CID 2932469
Methyl 2-(furan-2-carbonylamino)benzoate
CID 310138
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
Dimethyl 2-acetamidoterephthalate
CID 228014

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolane-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-(oxolane-2-carbonylamino)benzoate (CID 2933313) is methyl 2-(oxolane-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(oxolane-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(oxolane-2-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of methyl 2-(oxolane-2-carbonylamino)benzoate?
The InChIKey is RBBLRGUKNBEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-13(16)9-5-2-3-6-10(9)14-12(15)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15).
What are the key properties of methyl 2-(oxolane-2-carbonylamino)benzoate?
methyl 2-(oxolane-2-carbonylamino)benzoate has a molecular weight of 249.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolane-2-carbonylamino)benzoate is sourced from PubChem (CID 2933313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).