methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate

C11H21NO2 — CID 10856480

IUPACmethyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCN(CC)[C@@H]1[C@@H](C)C[C@H]1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyDGLIMSQTJUWYSB-IVZWLZJFSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds4

About methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate

methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate (PubChem CID 10856480) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate
PubChem CID10856480
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCN(CC)[C@@H]1[C@@H](C)C[C@H]1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyDGLIMSQTJUWYSB-IVZWLZJFSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate 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 methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The IUPAC name of methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate (CID 10856480) is methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate is CCN(CC)[C@@H]1[C@@H](C)C[C@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The InChIKey is DGLIMSQTJUWYSB-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3/t8-,9+,10+/m0/s1.
What are the key properties of methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3S)-2-(diethylamino)-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 10856480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).