2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate

C12H23NO3 — CID 106448206

IUPAC2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
SMILESCC(C)COCCOC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-15-6-7-16-11(14)8-12(13)4-3-5-12/h10H,3-9,13H2,1-2H3
InChIKeyJHMMGIJEYBJZGO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate

2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate (PubChem CID 106448206) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
PubChem CID106448206
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
SMILESCC(C)COCCOC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-15-6-7-16-11(14)8-12(13)4-3-5-12/h10H,3-9,13H2,1-2H3
InChIKeyJHMMGIJEYBJZGO-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738452
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
1-[2-(2-methylpropoxy)ethyl]cyclobutan-1-amine
CID 106459234
4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
CID 79845276
2-(2-methylpropoxy)ethyl 2-(ethylamino)acetate
CID 106448275
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 106447956
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-(2-methylpropoxy)ethyl 3-amino-3-methylbutanoate
CID 106448152
2-(2-methylpropoxy)ethyl 3-aminopentanoate
CID 106448091
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
butan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64701975

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate (CID 106448206) is 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate is CC(C)COCCOC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate?
The InChIKey is JHMMGIJEYBJZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)9-15-6-7-16-11(14)8-12(13)4-3-5-12/h10H,3-9,13H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate?
2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate is sourced from PubChem (CID 106448206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).