methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate

C14H15NO4 — CID 142675706

IUPACmethyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1oc(-c2cc(C)ccc2OC)cc1N
InChIInChI=1S/C14H15NO4/c1-8-4-5-11(17-2)9(6-8)12-7-10(15)13(19-12)14(16)18-3/h4-7H,15H2,1-3H3
InChIKeyPMPLDYUHXPJTFL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.63
Rot. Bonds3

About methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate

methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate (PubChem CID 142675706) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
PubChem CID142675706
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1oc(-c2cc(C)ccc2OC)cc1N
InChIInChI=1S/C14H15NO4/c1-8-4-5-11(17-2)9(6-8)12-7-10(15)13(19-12)14(16)18-3/h4-7H,15H2,1-3H3
InChIKeyPMPLDYUHXPJTFL-UHFFFAOYSA-N
XLogP2.63
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate (CID 142675706) is methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate is COC(=O)c1oc(-c2cc(C)ccc2OC)cc1N.
What is the InChIKey of methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate?
The InChIKey is PMPLDYUHXPJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-4-5-11(17-2)9(6-8)12-7-10(15)13(19-12)14(16)18-3/h4-7H,15H2,1-3H3.
What are the key properties of methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate?
methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate is sourced from PubChem (CID 142675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).