tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate

C13H25NO2 — CID 103264791

IUPACtert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
SMILESCCC1(NCCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H25NO2/c1-5-13(8-6-9-13)14-10-7-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3
InChIKeyLUZXYSYNTDGYQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds5

About tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate

tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate (PubChem CID 103264791) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
PubChem CID103264791
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate
SMILESCCC1(NCCC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H25NO2/c1-5-13(8-6-9-13)14-10-7-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3
InChIKeyLUZXYSYNTDGYQH-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
tert-butyl 3-(methoxyamino)propanoate
CID 10751000
tert-butyl 3-(2,2-dimethylbutylamino)propanoate
CID 103700008
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
tert-butyl 3-(1-ethylcyclopropyl)propanoate
CID 166027705
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
tert-butyl 4-(propylamino)butanoate
CID 22329227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate (CID 103264791) is tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate is CCC1(NCCC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate?
The InChIKey is LUZXYSYNTDGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(8-6-9-13)14-10-7-11(15)16-12(2,3)4/h14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate?
tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-ethylcyclobutyl)amino]propanoate is sourced from PubChem (CID 103264791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).