methyl 3-(4-aminofuran-3-yl)benzoate

C12H11NO3 — CID 134284368

IUPACmethyl 3-(4-aminofuran-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cocc2N)c1
InChIInChI=1S/C12H11NO3/c1-15-12(14)9-4-2-3-8(5-9)10-6-16-7-11(10)13/h2-7H,13H2,1H3
InChIKeyUPSCYUPDRPQLAN-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.32
Rot. Bonds2

About methyl 3-(4-aminofuran-3-yl)benzoate

methyl 3-(4-aminofuran-3-yl)benzoate (PubChem CID 134284368) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-(4-aminofuran-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(4-aminofuran-3-yl)benzoate
PubChem CID134284368
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 3-(4-aminofuran-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cocc2N)c1
InChIInChI=1S/C12H11NO3/c1-15-12(14)9-4-2-3-8(5-9)10-6-16-7-11(10)13/h2-7H,13H2,1H3
InChIKeyUPSCYUPDRPQLAN-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(2-ethynylphenyl)benzoate
CID 175646821
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
methyl 3-(2-fluoro-5-methylphenyl)benzoate
CID 75488323
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-pyridin-4-ylbenzoate
CID 5152687

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminofuran-3-yl)benzoate?
The IUPAC name of methyl 3-(4-aminofuran-3-yl)benzoate (CID 134284368) is methyl 3-(4-aminofuran-3-yl)benzoate.
What is the SMILES notation for methyl 3-(4-aminofuran-3-yl)benzoate?
The canonical SMILES for methyl 3-(4-aminofuran-3-yl)benzoate is COC(=O)c1cccc(-c2cocc2N)c1.
What is the InChIKey of methyl 3-(4-aminofuran-3-yl)benzoate?
The InChIKey is UPSCYUPDRPQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12(14)9-4-2-3-8(5-9)10-6-16-7-11(10)13/h2-7H,13H2,1H3.
What are the key properties of methyl 3-(4-aminofuran-3-yl)benzoate?
methyl 3-(4-aminofuran-3-yl)benzoate has a molecular weight of 217.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminofuran-3-yl)benzoate is sourced from PubChem (CID 134284368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).