(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid

C11H15NO6 — CID 121408514

IUPAC(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C(O)=C/C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H15NO6/c13-8(10(15)16)7-9(14)12-3-1-11(2-4-12)17-5-6-18-11/h7,13H,1-6H2,(H,15,16)/b8-7-
InChIKeyFABLPTCNHWPIPY-FPLPWBNLSA-N
MW257.24 g/mol
LogP-0.12
Rot. Bonds2

About (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid

(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid (PubChem CID 121408514) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid
PubChem CID121408514
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C(O)=C/C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H15NO6/c13-8(10(15)16)7-9(14)12-3-1-11(2-4-12)17-5-6-18-11/h7,13H,1-6H2,(H,15,16)/b8-7-
InChIKeyFABLPTCNHWPIPY-FPLPWBNLSA-N
XLogP-0.12
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexa-2,4-dien-1-one
CID 110838701
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
CID 69088167
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
(E)-3-(4-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370579
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 71898426
(E)-3-(3,4-dichlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370705
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid (CID 121408514) is (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid is O=C(O)/C(O)=C/C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The InChIKey is FABLPTCNHWPIPY-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H15NO6/c13-8(10(15)16)7-9(14)12-3-1-11(2-4-12)17-5-6-18-11/h7,13H,1-6H2,(H,15,16)/b8-7-.
What are the key properties of (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid?
(Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid has a molecular weight of 257.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 121408514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).