(3R)-3-(diethylamino)-4-methoxybutan-2-one

C9H19NO2 — CID 87172617

IUPAC(3R)-3-(diethylamino)-4-methoxybutan-2-one
SMILESCCN(CC)[C@H](COC)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)9(7-12-4)8(3)11/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyTWKMAOFLYPHDCP-SECBINFHSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds6

About (3R)-3-(diethylamino)-4-methoxybutan-2-one

(3R)-3-(diethylamino)-4-methoxybutan-2-one (PubChem CID 87172617) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-(diethylamino)-4-methoxybutan-2-one.

Molecular Properties

Compound Name(3R)-3-(diethylamino)-4-methoxybutan-2-one
PubChem CID87172617
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-(diethylamino)-4-methoxybutan-2-one
SMILESCCN(CC)[C@H](COC)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)9(7-12-4)8(3)11/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyTWKMAOFLYPHDCP-SECBINFHSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(diethylamino)-4-methoxybutan-2-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 (3R)-3-(diethylamino)-4-methoxybutan-2-one?
The IUPAC name of (3R)-3-(diethylamino)-4-methoxybutan-2-one (CID 87172617) is (3R)-3-(diethylamino)-4-methoxybutan-2-one.
What is the SMILES notation for (3R)-3-(diethylamino)-4-methoxybutan-2-one?
The canonical SMILES for (3R)-3-(diethylamino)-4-methoxybutan-2-one is CCN(CC)[C@H](COC)C(C)=O.
What is the InChIKey of (3R)-3-(diethylamino)-4-methoxybutan-2-one?
The InChIKey is TWKMAOFLYPHDCP-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(6-2)9(7-12-4)8(3)11/h9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-3-(diethylamino)-4-methoxybutan-2-one?
(3R)-3-(diethylamino)-4-methoxybutan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(diethylamino)-4-methoxybutan-2-one is sourced from PubChem (CID 87172617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).