ethyl 3-[2-(tert-butylamino)ethylamino]propanoate

C11H24N2O2 — CID 107445555

IUPACethyl 3-[2-(tert-butylamino)ethylamino]propanoate
SMILESCCOC(=O)CCNCCNC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-5-15-10(14)6-7-12-8-9-13-11(2,3)4/h12-13H,5-9H2,1-4H3
InChIKeyJMZFAYCFETXJPS-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.92
Rot. Bonds7

About ethyl 3-[2-(tert-butylamino)ethylamino]propanoate

ethyl 3-[2-(tert-butylamino)ethylamino]propanoate (PubChem CID 107445555) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl 3-[2-(tert-butylamino)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(tert-butylamino)ethylamino]propanoate
PubChem CID107445555
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethyl 3-[2-(tert-butylamino)ethylamino]propanoate
SMILESCCOC(=O)CCNCCNC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-5-15-10(14)6-7-12-8-9-13-11(2,3)4/h12-13H,5-9H2,1-4H3
InChIKeyJMZFAYCFETXJPS-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
ethyl 3-(2-isocyanoethylamino)propanoate
CID 123252749
ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 3-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 107445554

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(tert-butylamino)ethylamino]propanoate?
The IUPAC name of ethyl 3-[2-(tert-butylamino)ethylamino]propanoate (CID 107445555) is ethyl 3-[2-(tert-butylamino)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(tert-butylamino)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(tert-butylamino)ethylamino]propanoate is CCOC(=O)CCNCCNC(C)(C)C.
What is the InChIKey of ethyl 3-[2-(tert-butylamino)ethylamino]propanoate?
The InChIKey is JMZFAYCFETXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-15-10(14)6-7-12-8-9-13-11(2,3)4/h12-13H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[2-(tert-butylamino)ethylamino]propanoate?
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate has a molecular weight of 216.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(tert-butylamino)ethylamino]propanoate is sourced from PubChem (CID 107445555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).