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

C8H13NO3 — CID 102652557

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO3/c1-11-5-6(9)8(10)7-3-2-4-12-7/h3,6H,2,4-5,9H2,1H3
InChIKeyCUOPACYSVLNBTH-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.17
Rot. Bonds4

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

2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one (PubChem CID 102652557) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one
PubChem CID102652557
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO3/c1-11-5-6(9)8(10)7-3-2-4-12-7/h3,6H,2,4-5,9H2,1H3
InChIKeyCUOPACYSVLNBTH-UHFFFAOYSA-N
XLogP-0.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 84020688
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
CID 102648432
1-(4,5-Dihydrofuran-2-yl)-2-(methylamino)propan-1-one
CID 102652454
2-Amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 102652522
(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 165468826
(2S)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 165715794
(2S)-1-(4,5-dihydrofuran-2-yl)-2-(methylamino)propan-1-one
CID 165741277
(2R)-2-amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 165865110
(2S)-2-amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 165867636
(2S)-2-amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 165867637
(2R)-2-amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 165951877

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one (CID 102652557) is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one is COCC(N)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one?
The InChIKey is CUOPACYSVLNBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-5-6(9)8(10)7-3-2-4-12-7/h3,6H,2,4-5,9H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one has a molecular weight of 171.20 g/mol, XLogP of -0.17, 4 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)-3-methoxypropan-1-one is sourced from PubChem (CID 102652557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).