4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid

C14H17NO5 — CID 115291380

IUPAC4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CCOCC2)c1O
InChIInChI=1S/C14H17NO5/c1-9-3-2-4-10(11(9)16)12(17)15-14(13(18)19)5-7-20-8-6-14/h2-4,16H,5-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyCOJNELGTZPFJEV-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.06
Rot. Bonds3

About 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid

4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid (PubChem CID 115291380) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
PubChem CID115291380
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CCOCC2)c1O
InChIInChI=1S/C14H17NO5/c1-9-3-2-4-10(11(9)16)12(17)15-14(13(18)19)5-7-20-8-6-14/h2-4,16H,5-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyCOJNELGTZPFJEV-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

Analyze 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 114278637
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
4-[(2-methylsulfanylpyridine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 115291465
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid (CID 115291380) is 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)CCOCC2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
The InChIKey is COJNELGTZPFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-3-2-4-10(11(9)16)12(17)15-14(13(18)19)5-7-20-8-6-14/h2-4,16H,5-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid?
4-[(2-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-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).