2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one

C9H15NO3 — CID 102652462

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-4-7(10)9(11)8-3-2-5-13-8/h3,7H,2,4-6,10H2,1H3
InChIKeyTYPXCNFGMSIWQJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.22
Rot. Bonds5

About 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one

2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one (PubChem CID 102652462) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one
PubChem CID102652462
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-4-7(10)9(11)8-3-2-5-13-8/h3,7H,2,4-6,10H2,1H3
InChIKeyTYPXCNFGMSIWQJ-UHFFFAOYSA-N
XLogP0.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one (CID 102652462) is 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one is COCCC(N)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one?
The InChIKey is TYPXCNFGMSIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-6-4-7(10)9(11)8-3-2-5-13-8/h3,7H,2,4-6,10H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one has a molecular weight of 185.22 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 102652462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).