methyl 2-amino-2-(furan-3-yl)acetate

C7H9NO3 — CID 18546098

IUPACmethyl 2-amino-2-(furan-3-yl)acetate
SMILESCOC(=O)C(N)c1ccoc1
InChIInChI=1S/C7H9NO3/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,8H2,1H3
InChIKeyGANHVIBOMQZCLN-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.45
Rot. Bonds2

About methyl 2-amino-2-(furan-3-yl)acetate

methyl 2-amino-2-(furan-3-yl)acetate (PubChem CID 18546098) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-amino-2-(furan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(furan-3-yl)acetate
PubChem CID18546098
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-amino-2-(furan-3-yl)acetate
SMILESCOC(=O)C(N)c1ccoc1
InChIInChI=1S/C7H9NO3/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,8H2,1H3
InChIKeyGANHVIBOMQZCLN-UHFFFAOYSA-N
XLogP0.45
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(furan-3-yl)acetate?
The IUPAC name of methyl 2-amino-2-(furan-3-yl)acetate (CID 18546098) is methyl 2-amino-2-(furan-3-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(furan-3-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(furan-3-yl)acetate is COC(=O)C(N)c1ccoc1.
What is the InChIKey of methyl 2-amino-2-(furan-3-yl)acetate?
The InChIKey is GANHVIBOMQZCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,8H2,1H3.
What are the key properties of methyl 2-amino-2-(furan-3-yl)acetate?
methyl 2-amino-2-(furan-3-yl)acetate has a molecular weight of 155.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(furan-3-yl)acetate is sourced from PubChem (CID 18546098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).