methyl 2-(furan-2-ylmethylamino)benzoate

C13H13NO3 — CID 43087160

IUPACmethyl 2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C13H13NO3/c1-16-13(15)11-6-2-3-7-12(11)14-9-10-5-4-8-17-10/h2-8,14H,9H2,1H3
InChIKeyFDXBUBMKUSUBEE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-(furan-2-ylmethylamino)benzoate

methyl 2-(furan-2-ylmethylamino)benzoate (PubChem CID 43087160) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-ylmethylamino)benzoate
PubChem CID43087160
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C13H13NO3/c1-16-13(15)11-6-2-3-7-12(11)14-9-10-5-4-8-17-10/h2-8,14H,9H2,1H3
InChIKeyFDXBUBMKUSUBEE-UHFFFAOYSA-N
XLogP2.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
methyl 3-amino-2-(furan-2-ylmethylamino)benzoate
CID 112577605
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2635169
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55465471
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 18209067
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of methyl 2-(furan-2-ylmethylamino)benzoate (CID 43087160) is methyl 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-(furan-2-ylmethylamino)benzoate is COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of methyl 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is FDXBUBMKUSUBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-13(15)11-6-2-3-7-12(11)14-9-10-5-4-8-17-10/h2-8,14H,9H2,1H3.
What are the key properties of methyl 2-(furan-2-ylmethylamino)benzoate?
methyl 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 231.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 43087160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).