5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid

C14H17NO5 — CID 115410893

IUPAC5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)C2CCOC2C)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-8-10(5-6-20-8)13(16)15-12-4-3-9(19-2)7-11(12)14(17)18/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOEIBRBIWVABLMK-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.76
Rot. Bonds4

About 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid

5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 115410893) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID115410893
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)C2CCOC2C)c(C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-8-10(5-6-20-8)13(16)15-12-4-3-9(19-2)7-11(12)14(17)18/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOEIBRBIWVABLMK-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid (CID 115410893) is 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid is COc1ccc(NC(=O)C2CCOC2C)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is OEIBRBIWVABLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8-10(5-6-20-8)13(16)15-12-4-3-9(19-2)7-11(12)14(17)18/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid?
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115410893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).