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

C14H17NO5 — CID 107675005

IUPAC4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCc1cc(C(=O)NC2COCC2(C)C(=O)O)ccc1O
InChIInChI=1S/C14H17NO5/c1-8-5-9(3-4-10(8)16)12(17)15-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFAEOCAWBFCZTME-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.92
Rot. Bonds3

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

4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 107675005) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID107675005
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCc1cc(C(=O)NC2COCC2(C)C(=O)O)ccc1O
InChIInChI=1S/C14H17NO5/c1-8-5-9(3-4-10(8)16)12(17)15-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFAEOCAWBFCZTME-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 107675005) is 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid is Cc1cc(C(=O)NC2COCC2(C)C(=O)O)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is FAEOCAWBFCZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8-5-9(3-4-10(8)16)12(17)15-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.92, 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]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 107675005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).