dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

C18H31NO5 — CID 100949293

IUPACdodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESCCCCCCCCCCCCOC(=O)CCC1NC(=O)OC1=O
InChIInChI=1S/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-23-16(20)13-12-15-17(21)24-18(22)19-15/h15H,2-14H2,1H3,(H,19,22)
InChIKeyMSWFLEYNJAWAGE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.87
Rot. Bonds14

About dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (PubChem CID 100949293) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.

Molecular Properties

Compound Namedodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
PubChem CID100949293
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Namedodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESCCCCCCCCCCCCOC(=O)CCC1NC(=O)OC1=O
InChIInChI=1S/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-23-16(20)13-12-15-17(21)24-18(22)19-15/h15H,2-14H2,1H3,(H,19,22)
InChIKeyMSWFLEYNJAWAGE-UHFFFAOYSA-N
XLogP3.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lauryl PCA
CID 173414
Methyl (S)-2,5-dioxooxazolidine-4-propionate
CID 102666
Dodecyl 5-oxo-DL-prolinate
CID 90841
(S)-Methyl 3-(2,5-dioxooxazolidin-4-yl)propanoate
CID 15725330
gamma-Ethyl-L-glutamate N-carboxy anhydride
CID 15597905
prop-2-ynyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
CID 46837545
4-Acetylamino-5-octadecyloxy-pentanoic acid methyl ester
CID 44281077
methyl 3-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
CID 637789
Undecyl 5-oxo-L-prolinate
CID 22840771
l-Norvaline, N-methoxycarbonyl-, nonyl ester
CID 91714305
l-Norvaline, N-ethoxycarbonyl-, hexadecyl ester
CID 91718827
l-Norvaline, N-ethoxycarbonyl-, octyl ester
CID 91718833

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The IUPAC name of dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (CID 100949293) is dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.
What is the SMILES notation for dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The canonical SMILES for dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is CCCCCCCCCCCCOC(=O)CCC1NC(=O)OC1=O.
What is the InChIKey of dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The InChIKey is MSWFLEYNJAWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-23-16(20)13-12-15-17(21)24-18(22)19-15/h15H,2-14H2,1H3,(H,19,22).
What are the key properties of dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate has a molecular weight of 341.45 g/mol, XLogP of 3.87, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is sourced from PubChem (CID 100949293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).