(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate

C13H23NO5 — CID 58963663

IUPAC(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate
SMILESCCC1(COC(=O)CCOCCNC(C)=O)COC1
InChIInChI=1S/C13H23NO5/c1-3-13(8-18-9-13)10-19-12(16)4-6-17-7-5-14-11(2)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyYWESXVDSKITZIU-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.50
Rot. Bonds9

About (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate

(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate (PubChem CID 58963663) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate
PubChem CID58963663
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate
SMILESCCC1(COC(=O)CCOCCNC(C)=O)COC1
InChIInChI=1S/C13H23NO5/c1-3-13(8-18-9-13)10-19-12(16)4-6-17-7-5-14-11(2)15/h3-10H2,1-2H3,(H,14,15)
InChIKeyYWESXVDSKITZIU-UHFFFAOYSA-N
XLogP0.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-ethyloxetan-3-yl)methyl N-butylcarbamate
CID 20682757
(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
CID 155170717
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
CID 139951419
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
(3-ethyloxetan-3-yl)methyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 23590122
5-[(3-ethyloxetan-3-yl)methoxy]-2-methylidenepentanoic acid
CID 68640152
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
(E)-4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobut-2-enoic acid
CID 20682759

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate (CID 58963663) is (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate is CCC1(COC(=O)CCOCCNC(C)=O)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate?
The InChIKey is YWESXVDSKITZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-13(8-18-9-13)10-19-12(16)4-6-17-7-5-14-11(2)15/h3-10H2,1-2H3,(H,14,15).
What are the key properties of (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate?
(3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate has a molecular weight of 273.33 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl 3-(2-acetamidoethoxy)propanoate is sourced from PubChem (CID 58963663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).