benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

C16H21NO4 — CID 69146214

IUPACbenzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)COCC2O
InChIInChI=1S/C16H21NO4/c18-14-11-20-12-16(14)6-8-17(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2
InChIKeyPJGRXWNCVQKPBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.80
Rot. Bonds2

About benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 69146214) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID69146214
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namebenzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)COCC2O
InChIInChI=1S/C16H21NO4/c18-14-11-20-12-16(14)6-8-17(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2
InChIKeyPJGRXWNCVQKPBM-UHFFFAOYSA-N
XLogP1.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 69146214) is benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is O=C(OCc1ccccc1)N1CCC2(CC1)COCC2O.
What is the InChIKey of benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is PJGRXWNCVQKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-14-11-20-12-16(14)6-8-17(9-7-16)15(19)21-10-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2.
What are the key properties of benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 69146214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).