(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate

C10H15NO4 — CID 21465729

IUPAC(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate
SMILESCCC1OC(C)=C(OC(=O)C(C)N)C1=O
InChIInChI=1S/C10H15NO4/c1-4-7-8(12)9(6(3)14-7)15-10(13)5(2)11/h5,7H,4,11H2,1-3H3
InChIKeySWZXILHCKOULHF-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.49
Rot. Bonds3

About (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate

(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate (PubChem CID 21465729) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate.

Molecular Properties

Compound Name(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate
PubChem CID21465729
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate
SMILESCCC1OC(C)=C(OC(=O)C(C)N)C1=O
InChIInChI=1S/C10H15NO4/c1-4-7-8(12)9(6(3)14-7)15-10(13)5(2)11/h5,7H,4,11H2,1-3H3
InChIKeySWZXILHCKOULHF-UHFFFAOYSA-N
XLogP0.49
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate?
The IUPAC name of (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate (CID 21465729) is (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate.
What is the SMILES notation for (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate?
The canonical SMILES for (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate is CCC1OC(C)=C(OC(=O)C(C)N)C1=O.
What is the InChIKey of (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate?
The InChIKey is SWZXILHCKOULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-7-8(12)9(6(3)14-7)15-10(13)5(2)11/h5,7H,4,11H2,1-3H3.
What are the key properties of (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate?
(5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate has a molecular weight of 213.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyl-4-oxofuran-3-yl) 2-aminopropanoate is sourced from PubChem (CID 21465729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).