(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone

C12H22N2O3 — CID 114829856

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCO2)C1(C)C
InChIInChI=1S/C12H22N2O3/c1-4-16-9-8-12(13,11(9,2)3)10(15)14-6-5-7-17-14/h9H,4-8,13H2,1-3H3
InChIKeyFWNBYIANSHYHFZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 114829856) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID114829856
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCO2)C1(C)C
InChIInChI=1S/C12H22N2O3/c1-4-16-9-8-12(13,11(9,2)3)10(15)14-6-5-7-17-14/h9H,4-8,13H2,1-3H3
InChIKeyFWNBYIANSHYHFZ-UHFFFAOYSA-N
XLogP0.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
CID 114829028
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
CID 114829330
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
CID 114829341
(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-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone (CID 114829856) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone is CCOC1CC(N)(C(=O)N2CCCO2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is FWNBYIANSHYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-16-9-8-12(13,11(9,2)3)10(15)14-6-5-7-17-14/h9H,4-8,13H2,1-3H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 0.68, 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)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 114829856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).