2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid

C17H24N2O4 — CID 66964309

IUPAC2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)N1CCOC2(CN(CCc3cccc(CCO)c3)C2)C1
InChIInChI=1S/C17H24N2O4/c20-8-5-15-3-1-2-14(10-15)4-6-18-11-17(12-18)13-19(16(21)22)7-9-23-17/h1-3,10,20H,4-9,11-13H2,(H,21,22)
InChIKeyONYHEFQROCDIER-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.83
Rot. Bonds5

About 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid

2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid (PubChem CID 66964309) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid
PubChem CID66964309
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)N1CCOC2(CN(CCc3cccc(CCO)c3)C2)C1
InChIInChI=1S/C17H24N2O4/c20-8-5-15-3-1-2-14(10-15)4-6-18-11-17(12-18)13-19(16(21)22)7-9-23-17/h1-3,10,20H,4-9,11-13H2,(H,21,22)
InChIKeyONYHEFQROCDIER-UHFFFAOYSA-N
XLogP0.83
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
N-[3-[2-(4-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]methanesulfonamide
CID 118562470
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
1-[3-[2-(4-benzoyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]propan-2-one
CID 162125829
2,2-diphenylmorpholine-4-carboxylic acid
CID 57298825
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
(9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2,6-difluorophenyl)methanone
CID 73212667
1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one
CID 97396617
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The IUPAC name of 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid (CID 66964309) is 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid.
What is the SMILES notation for 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The canonical SMILES for 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid is O=C(O)N1CCOC2(CN(CCc3cccc(CCO)c3)C2)C1.
What is the InChIKey of 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The InChIKey is ONYHEFQROCDIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-8-5-15-3-1-2-14(10-15)4-6-18-11-17(12-18)13-19(16(21)22)7-9-23-17/h1-3,10,20H,4-9,11-13H2,(H,21,22).
What are the key properties of 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid?
2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxyethyl)phenyl]ethyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylic acid is sourced from PubChem (CID 66964309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).