3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid

C14H17NO5 — CID 64889609

IUPAC3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1C
InChIInChI=1S/C14H17NO5/c1-9-3-4-10(7-11(9)19-2)12(16)15-14(13(17)18)5-6-20-8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGIZYFHINXFJQSJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.98
Rot. Bonds4

About 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid

3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889609) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID64889609
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1C
InChIInChI=1S/C14H17NO5/c1-9-3-4-10(7-11(9)19-2)12(16)15-14(13(17)18)5-6-20-8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGIZYFHINXFJQSJ-UHFFFAOYSA-N
XLogP0.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid (CID 64889609) is 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid is COc1cc(C(=O)NC2(C(=O)O)CCOC2)ccc1C.
What is the InChIKey of 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GIZYFHINXFJQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-3-4-10(7-11(9)19-2)12(16)15-14(13(17)18)5-6-20-8-14/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid?
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).