methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate

C17H24N2O3 — CID 95206949

IUPACmethyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CN2CCC[C@]3(CCNC3)C2)ccc1O
InChIInChI=1S/C17H24N2O3/c1-22-16(21)14-9-13(3-4-15(14)20)10-19-8-2-5-17(12-19)6-7-18-11-17/h3-4,9,18,20H,2,5-8,10-12H2,1H3/t17-/m1/s1
InChIKeyASKDEUXKZLDRFC-QGZVFWFLSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds3

About methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate

methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate (PubChem CID 95206949) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
PubChem CID95206949
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CN2CCC[C@]3(CCNC3)C2)ccc1O
InChIInChI=1S/C17H24N2O3/c1-22-16(21)14-9-13(3-4-15(14)20)10-19-8-2-5-17(12-19)6-7-18-11-17/h3-4,9,18,20H,2,5-8,10-12H2,1H3/t17-/m1/s1
InChIKeyASKDEUXKZLDRFC-QGZVFWFLSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate with MolForge

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Related Compounds

methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
CID 102850104
methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
CID 56895309
methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 95197199
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
methyl 2-hydroxy-5-[(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]benzoate
CID 56739001
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate (CID 95206949) is methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate is COC(=O)c1cc(CN2CCC[C@]3(CCNC3)C2)ccc1O.
What is the InChIKey of methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate?
The InChIKey is ASKDEUXKZLDRFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-16(21)14-9-13(3-4-15(14)20)10-19-8-2-5-17(12-19)6-7-18-11-17/h3-4,9,18,20H,2,5-8,10-12H2,1H3/t17-/m1/s1.
What are the key properties of methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate?
methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate has a molecular weight of 304.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate is sourced from PubChem (CID 95206949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).