2-propoxyethyl 3-(tert-butylamino)propanoate

C12H25NO3 — CID 63685785

IUPAC2-propoxyethyl 3-(tert-butylamino)propanoate
SMILESCCCOCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-8-15-9-10-16-11(14)6-7-13-12(2,3)4/h13H,5-10H2,1-4H3
InChIKeyOYZUIWXCMJJOFS-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds8

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

2-propoxyethyl 3-(tert-butylamino)propanoate (PubChem CID 63685785) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-propoxyethyl 3-(tert-butylamino)propanoate.

Molecular Properties

Compound Name2-propoxyethyl 3-(tert-butylamino)propanoate
PubChem CID63685785
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-propoxyethyl 3-(tert-butylamino)propanoate
SMILESCCCOCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-8-15-9-10-16-11(14)6-7-13-12(2,3)4/h13H,5-10H2,1-4H3
InChIKeyOYZUIWXCMJJOFS-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
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-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
hexyl 3-(tert-butylamino)propanoate
CID 61301914
3,3-dimethylbutyl 3-(tert-butylamino)propanoate
CID 66224635
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
CID 63687075
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
2-(2-propoxyethoxy)ethyl pent-4-ynoate
CID 134215375
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 3-(tert-butylamino)propanoate?
The IUPAC name of 2-propoxyethyl 3-(tert-butylamino)propanoate (CID 63685785) is 2-propoxyethyl 3-(tert-butylamino)propanoate.
What is the SMILES notation for 2-propoxyethyl 3-(tert-butylamino)propanoate?
The canonical SMILES for 2-propoxyethyl 3-(tert-butylamino)propanoate is CCCOCCOC(=O)CCNC(C)(C)C.
What is the InChIKey of 2-propoxyethyl 3-(tert-butylamino)propanoate?
The InChIKey is OYZUIWXCMJJOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-8-15-9-10-16-11(14)6-7-13-12(2,3)4/h13H,5-10H2,1-4H3.
What are the key properties of 2-propoxyethyl 3-(tert-butylamino)propanoate?
2-propoxyethyl 3-(tert-butylamino)propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 3-(tert-butylamino)propanoate is sourced from PubChem (CID 63685785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).