(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate

C16H27NO4 — CID 142645253

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-16(19)20-12-13-11-17-14(18)10-15(17)21-13/h13,15H,2-12H2,1H3
InChIKeyMJCUOVCUTJIQPS-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.63
Rot. Bonds10

About (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate (PubChem CID 142645253) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate
PubChem CID142645253
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-16(19)20-12-13-11-17-14(18)10-15(17)21-13/h13,15H,2-12H2,1H3
InChIKeyMJCUOVCUTJIQPS-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl hexanoate
CID 142645249
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
[6-(hydroxymethyl)-1,4-dioxan-2-yl]methyl dodecanoate
CID 101106650
cyclobutylmethyl octanoate
CID 176885511
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
cycloheptylmethyl tridecanoate
CID 54548120
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl octadecanoate
CID 51040919
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
[(4R)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl]methyl octadecanoate
CID 52922108
(5-tridecyloxolan-2-yl)methyl 5-chloropentanoate
CID 14326609

Frequently Asked Questions

What is the IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate (CID 142645253) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate is CCCCCCCCCC(=O)OCC1CN2C(=O)CC2O1.
What is the InChIKey of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate?
The InChIKey is MJCUOVCUTJIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-16(19)20-12-13-11-17-14(18)10-15(17)21-13/h13,15H,2-12H2,1H3.
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate has a molecular weight of 297.39 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl decanoate is sourced from PubChem (CID 142645253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).