ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate

C13H27NO5 — CID 113427286

IUPACethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COCCOCCOC)NC(C)C
InChIInChI=1S/C13H27NO5/c1-5-19-13(15)12(14-11(2)3)10-18-9-8-17-7-6-16-4/h11-12,14H,5-10H2,1-4H3
InChIKeyOORKZQGFOCVLQO-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.60
Rot. Bonds12

About ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate

ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate (PubChem CID 113427286) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
PubChem CID113427286
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Nameethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COCCOCCOC)NC(C)C
InChIInChI=1S/C13H27NO5/c1-5-19-13(15)12(14-11(2)3)10-18-9-8-17-7-6-16-4/h11-12,14H,5-10H2,1-4H3
InChIKeyOORKZQGFOCVLQO-UHFFFAOYSA-N
XLogP0.60
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
CID 103180054
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722884
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate (CID 113427286) is ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate is CCOC(=O)C(COCCOCCOC)NC(C)C.
What is the InChIKey of ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate?
The InChIKey is OORKZQGFOCVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-5-19-13(15)12(14-11(2)3)10-18-9-8-17-7-6-16-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate?
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate has a molecular weight of 277.36 g/mol, XLogP of 0.60, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 113427286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).