4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid

C14H17NO5 — CID 107675089

IUPAC4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCOCC2)ccc1O
InChIInChI=1S/C14H17NO5/c1-9-8-10(2-3-11(9)16)12(17)15-14(13(18)19)4-6-20-7-5-14/h2-3,8,16H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyAZDYZIAQEXLOAX-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.06
Rot. Bonds3

About 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid

4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid (PubChem CID 107675089) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
PubChem CID107675089
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCOCC2)ccc1O
InChIInChI=1S/C14H17NO5/c1-9-8-10(2-3-11(9)16)12(17)15-14(13(18)19)4-6-20-7-5-14/h2-3,8,16H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyAZDYZIAQEXLOAX-UHFFFAOYSA-N
XLogP1.06
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
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-methyl-4-pyrazol-1-ylbenzoyl)amino]oxane-4-carboxylic acid
CID 122109146
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
4-[(4-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280104
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]oxane-4-carboxylic acid
CID 72884900
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
CID 115291715

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid (CID 107675089) is 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCOCC2)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The InChIKey is AZDYZIAQEXLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-8-10(2-3-11(9)16)12(17)15-14(13(18)19)4-6-20-7-5-14/h2-3,8,16H,4-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 107675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).