(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C15H26N2O3 — CID 114829508

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CC3CCC(C2)O3)C1(C)C
InChIInChI=1S/C15H26N2O3/c1-4-19-12-7-15(16,14(12,2)3)13(18)17-8-10-5-6-11(9-17)20-10/h10-12H,4-9,16H2,1-3H3
InChIKeyNDCLDJVTRHQOKG-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.91
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 114829508) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID114829508
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CC3CCC(C2)O3)C1(C)C
InChIInChI=1S/C15H26N2O3/c1-4-19-12-7-15(16,14(12,2)3)13(18)17-8-10-5-6-11(9-17)20-10/h10-12H,4-9,16H2,1-3H3
InChIKeyNDCLDJVTRHQOKG-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114829280
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 114829251
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
CID 114829341
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216933
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
3-ethoxy-2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclobutan-1-amine
CID 114830674

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 114829508) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CCOC1CC(N)(C(=O)N2CC3CCC(C2)O3)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is NDCLDJVTRHQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-19-12-7-15(16,14(12,2)3)13(18)17-8-10-5-6-11(9-17)20-10/h10-12H,4-9,16H2,1-3H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 282.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 114829508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).