acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

C12H22N2O5 — CID 118562479

IUPACacetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(=O)O.CC1CNCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C10H18N2O3.C2H4O2/c1-8-6-11-7-10(15-8)2-4-12(5-3-10)9(13)14;1-2(3)4/h8,11H,2-7H2,1H3,(H,13,14);1H3,(H,3,4)
InChIKeyBSIWILRHNXASQA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds

About acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 118562479) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID118562479
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameacetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(=O)O.CC1CNCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C10H18N2O3.C2H4O2/c1-8-6-11-7-10(15-8)2-4-12(5-3-10)9(13)14;1-2(3)4/h8,11H,2-7H2,1H3,(H,13,14);1H3,(H,3,4)
InChIKeyBSIWILRHNXASQA-UHFFFAOYSA-N
XLogP0.60
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (CID 118562479) is acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is CC(=O)O.CC1CNCC2(CCN(C(=O)O)CC2)O1.
What is the InChIKey of acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is BSIWILRHNXASQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.C2H4O2/c1-8-6-11-7-10(15-8)2-4-12(5-3-10)9(13)14;1-2(3)4/h8,11H,2-7H2,1H3,(H,13,14);1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 118562479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).