aminomethyl furan-3-carboxylate

C6H7NO3 — CID 163603289

IUPACaminomethyl furan-3-carboxylate
SMILESNCOC(=O)c1ccoc1
InChIInChI=1S/C6H7NO3/c7-4-10-6(8)5-1-2-9-3-5/h1-3H,4,7H2
InChIKeyGZOJAIJTTXMVEX-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.35
Rot. Bonds2

About aminomethyl furan-3-carboxylate

aminomethyl furan-3-carboxylate (PubChem CID 163603289) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is aminomethyl furan-3-carboxylate.

Molecular Properties

Compound Nameaminomethyl furan-3-carboxylate
PubChem CID163603289
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Nameaminomethyl furan-3-carboxylate
SMILESNCOC(=O)c1ccoc1
InChIInChI=1S/C6H7NO3/c7-4-10-6(8)5-1-2-9-3-5/h1-3H,4,7H2
InChIKeyGZOJAIJTTXMVEX-UHFFFAOYSA-N
XLogP0.35
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethyl furan-3-carboxylate?
The IUPAC name of aminomethyl furan-3-carboxylate (CID 163603289) is aminomethyl furan-3-carboxylate.
What is the SMILES notation for aminomethyl furan-3-carboxylate?
The canonical SMILES for aminomethyl furan-3-carboxylate is NCOC(=O)c1ccoc1.
What is the InChIKey of aminomethyl furan-3-carboxylate?
The InChIKey is GZOJAIJTTXMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-4-10-6(8)5-1-2-9-3-5/h1-3H,4,7H2.
What are the key properties of aminomethyl furan-3-carboxylate?
aminomethyl furan-3-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl furan-3-carboxylate is sourced from PubChem (CID 163603289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).