2-(aminomethyl)-5-phenylfuran-3-carboxylic acid

C12H11NO3 — CID 687980

IUPAC2-(aminomethyl)-5-phenylfuran-3-carboxylic acid
SMILESNCc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H11NO3/c13-7-11-9(12(14)15)6-10(16-11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15)
InChIKeyWSCPCRGXYRNSAW-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.10
Rot. Bonds3

About 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid

2-(aminomethyl)-5-phenylfuran-3-carboxylic acid (PubChem CID 687980) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-phenylfuran-3-carboxylic acid
PubChem CID687980
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(aminomethyl)-5-phenylfuran-3-carboxylic acid
SMILESNCc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H11NO3/c13-7-11-9(12(14)15)6-10(16-11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15)
InChIKeyWSCPCRGXYRNSAW-UHFFFAOYSA-N
XLogP2.10
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid (CID 687980) is 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid is NCc1oc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid?
The InChIKey is WSCPCRGXYRNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c13-7-11-9(12(14)15)6-10(16-11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15).
What are the key properties of 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid?
2-(aminomethyl)-5-phenylfuran-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 687980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).