methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate

C18H24N2O4 — CID 95197199

IUPACmethyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
SMILESCOC(=O)c1cc(CN2CC[C@]3(CCCN(C)C3=O)C2)ccc1O
InChIInChI=1S/C18H24N2O4/c1-19-8-3-6-18(17(19)23)7-9-20(12-18)11-13-4-5-15(21)14(10-13)16(22)24-2/h4-5,10,21H,3,6-9,11-12H2,1-2H3/t18-/m1/s1
InChIKeyDEBPANLTCNUQKZ-GOSISDBHSA-N
MW332.40 g/mol
LogP1.62
Rot. Bonds3

About methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate

methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate (PubChem CID 95197199) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
PubChem CID95197199
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
SMILESCOC(=O)c1cc(CN2CC[C@]3(CCCN(C)C3=O)C2)ccc1O
InChIInChI=1S/C18H24N2O4/c1-19-8-3-6-18(17(19)23)7-9-20(12-18)11-13-4-5-15(21)14(10-13)16(22)24-2/h4-5,10,21H,3,6-9,11-12H2,1-2H3/t18-/m1/s1
InChIKeyDEBPANLTCNUQKZ-GOSISDBHSA-N
XLogP1.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
CID 56895309
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138
methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
CID 95206949
methyl 2-hydroxy-5-[(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]benzoate
CID 56739001
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45220941
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72845836
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
(2R)-5-[(hydroxyamino)methyl]-1'-methylspiro[1,3-dihydroindene-2,3'-piperidine]-2'-one
CID 169026678
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate (CID 95197199) is methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate is COC(=O)c1cc(CN2CC[C@]3(CCCN(C)C3=O)C2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
The InChIKey is DEBPANLTCNUQKZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-8-3-6-18(17(19)23)7-9-20(12-18)11-13-4-5-15(21)14(10-13)16(22)24-2/h4-5,10,21H,3,6-9,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate?
methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate has a molecular weight of 332.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate is sourced from PubChem (CID 95197199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).