4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid

C14H13NO5 — CID 758105

IUPAC4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid
SMILESCOCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C14H13NO5/c1-19-8-11-6-7-12(20-11)13(16)15-10-4-2-9(3-5-10)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyMDRWYJOELOMUIA-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.38
Rot. Bonds5

About 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid

4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 758105) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID758105
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid
SMILESCOCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C14H13NO5/c1-19-8-11-6-7-12(20-11)13(16)15-10-4-2-9(3-5-10)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyMDRWYJOELOMUIA-UHFFFAOYSA-N
XLogP2.38
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid (CID 758105) is 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid is COCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)o1.
What is the InChIKey of 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is MDRWYJOELOMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-8-11-6-7-12(20-11)13(16)15-10-4-2-9(3-5-10)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid?
4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid has a molecular weight of 275.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 758105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).