methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate

C17H22N2O5 — CID 56895309

IUPACmethyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
SMILESCOC(=O)c1cc(CN2CCCC3(C2)CN(C)C(=O)O3)ccc1O
InChIInChI=1S/C17H22N2O5/c1-18-10-17(24-16(18)22)6-3-7-19(11-17)9-12-4-5-14(20)13(8-12)15(21)23-2/h4-5,8,20H,3,6-7,9-11H2,1-2H3
InChIKeyHOKUMLVWHXSSDP-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.60
Rot. Bonds3

About methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate

methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate (PubChem CID 56895309) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
PubChem CID56895309
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
SMILESCOC(=O)c1cc(CN2CCCC3(C2)CN(C)C(=O)O3)ccc1O
InChIInChI=1S/C17H22N2O5/c1-18-10-17(24-16(18)22)6-3-7-19(11-17)9-12-4-5-14(20)13(8-12)15(21)23-2/h4-5,8,20H,3,6-7,9-11H2,1-2H3
InChIKeyHOKUMLVWHXSSDP-UHFFFAOYSA-N
XLogP1.60
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate with MolForge

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Related Compounds

2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 95197199
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
CID 95206949
(5S)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95897113
9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 70783768
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
methyl 2-hydroxy-5-[(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]benzoate
CID 56739001
5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
CID 56914079
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate (CID 56895309) is methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate is COC(=O)c1cc(CN2CCCC3(C2)CN(C)C(=O)O3)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate?
The InChIKey is HOKUMLVWHXSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18-10-17(24-16(18)22)6-3-7-19(11-17)9-12-4-5-14(20)13(8-12)15(21)23-2/h4-5,8,20H,3,6-7,9-11H2,1-2H3.
What are the key properties of methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate?
methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate has a molecular weight of 334.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate is sourced from PubChem (CID 56895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).