2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid

C18H23NO6 — CID 120550434

IUPAC2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCOCC23CCC3)ccc1OCC(=O)O
InChIInChI=1S/C18H23NO6/c1-2-24-15-10-13(4-5-14(15)25-11-16(20)21)17(22)19-8-9-23-12-18(19)6-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,20,21)
InChIKeyJILHCJDCMJUIEW-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.94
Rot. Bonds6

About 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid

2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid (PubChem CID 120550434) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid
PubChem CID120550434
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCOCC23CCC3)ccc1OCC(=O)O
InChIInChI=1S/C18H23NO6/c1-2-24-15-10-13(4-5-14(15)25-11-16(20)21)17(22)19-8-9-23-12-18(19)6-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,20,21)
InChIKeyJILHCJDCMJUIEW-UHFFFAOYSA-N
XLogP1.94
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-ethoxyphenoxy]acetic acid
CID 119180326
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152075
2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid (CID 120550434) is 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid is CCOc1cc(C(=O)N2CCOCC23CCC3)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid?
The InChIKey is JILHCJDCMJUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-2-24-15-10-13(4-5-14(15)25-11-16(20)21)17(22)19-8-9-23-12-18(19)6-3-7-18/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid has a molecular weight of 349.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 120550434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).