1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid

C11H17NO3 — CID 79694296

IUPAC1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C11H17NO3/c13-9(14)11(1-2-11)12-7-10(8-12)3-5-15-6-4-10/h1-8H2,(H,13,14)
InChIKeyDSKHIHAFINNWAZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds2

About 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid

1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 79694296) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid
PubChem CID79694296
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C11H17NO3/c13-9(14)11(1-2-11)12-7-10(8-12)3-5-15-6-4-10/h1-8H2,(H,13,14)
InChIKeyDSKHIHAFINNWAZ-UHFFFAOYSA-N
XLogP0.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
CID 79694800
[4-(5-azaspiro[2.3]hexan-5-yl)oxan-4-yl]methanol
CID 106299445
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
CID 113280487
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
1-(2-sulfanylmorpholin-4-yl)cyclopropane-1-carboxylic acid
CID 140649695
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
CID 81166804
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid (CID 79694296) is 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(N2CC3(CCOCC3)C2)CC1.
What is the InChIKey of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is DSKHIHAFINNWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9(14)11(1-2-11)12-7-10(8-12)3-5-15-6-4-10/h1-8H2,(H,13,14).
What are the key properties of 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid?
1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).