benzyl 2-(3-oxooxazinan-2-yl)propanoate

C14H17NO4 — CID 22561645

IUPACbenzyl 2-(3-oxooxazinan-2-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1OCCCC1=O
InChIInChI=1S/C14H17NO4/c1-11(15-13(16)8-5-9-19-15)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyLRDOQPGVTWZLRX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds4

About benzyl 2-(3-oxooxazinan-2-yl)propanoate

benzyl 2-(3-oxooxazinan-2-yl)propanoate (PubChem CID 22561645) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl 2-(3-oxooxazinan-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(3-oxooxazinan-2-yl)propanoate
PubChem CID22561645
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl 2-(3-oxooxazinan-2-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1OCCCC1=O
InChIInChI=1S/C14H17NO4/c1-11(15-13(16)8-5-9-19-15)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyLRDOQPGVTWZLRX-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-oxooxazinan-2-yl)propanoate?
The IUPAC name of benzyl 2-(3-oxooxazinan-2-yl)propanoate (CID 22561645) is benzyl 2-(3-oxooxazinan-2-yl)propanoate.
What is the SMILES notation for benzyl 2-(3-oxooxazinan-2-yl)propanoate?
The canonical SMILES for benzyl 2-(3-oxooxazinan-2-yl)propanoate is CC(C(=O)OCc1ccccc1)N1OCCCC1=O.
What is the InChIKey of benzyl 2-(3-oxooxazinan-2-yl)propanoate?
The InChIKey is LRDOQPGVTWZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(15-13(16)8-5-9-19-15)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3.
What are the key properties of benzyl 2-(3-oxooxazinan-2-yl)propanoate?
benzyl 2-(3-oxooxazinan-2-yl)propanoate has a molecular weight of 263.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-oxooxazinan-2-yl)propanoate is sourced from PubChem (CID 22561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).