(3-aminofuran-2-yl) propanoate

C7H9NO3 — CID 174825087

IUPAC(3-aminofuran-2-yl) propanoate
SMILESCCC(=O)Oc1occc1N
InChIInChI=1S/C7H9NO3/c1-2-6(9)11-7-5(8)3-4-10-7/h3-4H,2,8H2,1H3
InChIKeyOVURFPUCBVVMMR-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.18
Rot. Bonds2

About (3-aminofuran-2-yl) propanoate

(3-aminofuran-2-yl) propanoate (PubChem CID 174825087) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (3-aminofuran-2-yl) propanoate.

Molecular Properties

Compound Name(3-aminofuran-2-yl) propanoate
PubChem CID174825087
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(3-aminofuran-2-yl) propanoate
SMILESCCC(=O)Oc1occc1N
InChIInChI=1S/C7H9NO3/c1-2-6(9)11-7-5(8)3-4-10-7/h3-4H,2,8H2,1H3
InChIKeyOVURFPUCBVVMMR-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminofuran-2-yl) propanoate?
The IUPAC name of (3-aminofuran-2-yl) propanoate (CID 174825087) is (3-aminofuran-2-yl) propanoate.
What is the SMILES notation for (3-aminofuran-2-yl) propanoate?
The canonical SMILES for (3-aminofuran-2-yl) propanoate is CCC(=O)Oc1occc1N.
What is the InChIKey of (3-aminofuran-2-yl) propanoate?
The InChIKey is OVURFPUCBVVMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-6(9)11-7-5(8)3-4-10-7/h3-4H,2,8H2,1H3.
What are the key properties of (3-aminofuran-2-yl) propanoate?
(3-aminofuran-2-yl) propanoate has a molecular weight of 155.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminofuran-2-yl) propanoate is sourced from PubChem (CID 174825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).