2-ethoxyethyl 3-(tert-butylamino)propanoate

C11H23NO3 — CID 61277005

IUPAC2-ethoxyethyl 3-(tert-butylamino)propanoate
SMILESCCOCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-14-8-9-15-10(13)6-7-12-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyFBBWPSKBQRCPSK-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About 2-ethoxyethyl 3-(tert-butylamino)propanoate

2-ethoxyethyl 3-(tert-butylamino)propanoate (PubChem CID 61277005) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethoxyethyl 3-(tert-butylamino)propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-(tert-butylamino)propanoate
PubChem CID61277005
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-ethoxyethyl 3-(tert-butylamino)propanoate
SMILESCCOCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-14-8-9-15-10(13)6-7-12-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyFBBWPSKBQRCPSK-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
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-propoxyethyl 3-(tert-butylamino)propanoate
CID 63685785
3,3-dimethylbutyl 3-(tert-butylamino)propanoate
CID 66224635
hexyl 3-(tert-butylamino)propanoate
CID 61301914
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 4-oxopentanoate
CID 22556205
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
2-ethoxyethyl 3-(methylaminooxy)propanoate
CID 166833055
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-(tert-butylamino)propanoate?
The IUPAC name of 2-ethoxyethyl 3-(tert-butylamino)propanoate (CID 61277005) is 2-ethoxyethyl 3-(tert-butylamino)propanoate.
What is the SMILES notation for 2-ethoxyethyl 3-(tert-butylamino)propanoate?
The canonical SMILES for 2-ethoxyethyl 3-(tert-butylamino)propanoate is CCOCCOC(=O)CCNC(C)(C)C.
What is the InChIKey of 2-ethoxyethyl 3-(tert-butylamino)propanoate?
The InChIKey is FBBWPSKBQRCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-14-8-9-15-10(13)6-7-12-11(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of 2-ethoxyethyl 3-(tert-butylamino)propanoate?
2-ethoxyethyl 3-(tert-butylamino)propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-(tert-butylamino)propanoate is sourced from PubChem (CID 61277005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).