3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid

C13H15NO5 — CID 64888035

IUPAC3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1cccc(C(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H15NO5/c1-18-10-4-2-3-9(7-10)11(15)14-13(12(16)17)5-6-19-8-13/h2-4,7H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyVHZZSAUBBGXCBJ-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.67
Rot. Bonds4

About 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid

3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888035) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID64888035
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1cccc(C(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H15NO5/c1-18-10-4-2-3-9(7-10)11(15)14-13(12(16)17)5-6-19-8-13/h2-4,7H,5-6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyVHZZSAUBBGXCBJ-UHFFFAOYSA-N
XLogP0.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
3-[(3-methylsulfonylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64888224
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222
3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889569

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid (CID 64888035) is 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid is COc1cccc(C(=O)NC2(C(=O)O)CCOC2)c1.
What is the InChIKey of 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VHZZSAUBBGXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-10-4-2-3-9(7-10)11(15)14-13(12(16)17)5-6-19-8-13/h2-4,7H,5-6,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).