3-(5-azaspiro[3.4]octan-5-yl)propanoic acid

C10H17NO2 — CID 131038142

IUPAC3-(5-azaspiro[3.4]octan-5-yl)propanoic acid
SMILESO=C(O)CCN1CCCC12CCC2
InChIInChI=1S/C10H17NO2/c12-9(13)3-8-11-7-2-6-10(11)4-1-5-10/h1-8H2,(H,12,13)
InChIKeyZWDNNBWRUNORPH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.48
Rot. Bonds3

About 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid

3-(5-azaspiro[3.4]octan-5-yl)propanoic acid (PubChem CID 131038142) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-azaspiro[3.4]octan-5-yl)propanoic acid
PubChem CID131038142
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(5-azaspiro[3.4]octan-5-yl)propanoic acid
SMILESO=C(O)CCN1CCCC12CCC2
InChIInChI=1S/C10H17NO2/c12-9(13)3-8-11-7-2-6-10(11)4-1-5-10/h1-8H2,(H,12,13)
InChIKeyZWDNNBWRUNORPH-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131103663
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3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
5-pent-4-ynyl-5-azaspiro[3.4]octane
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CID 134444048
5-(2,2-dimethylpropyl)-5-azaspiro[3.4]octane
CID 167459186
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
3-[4-[(1-methylsulfanylcyclobutyl)methyl]piperazin-1-yl]propanoic acid
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hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid?
The IUPAC name of 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid (CID 131038142) is 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid.
What is the SMILES notation for 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid?
The canonical SMILES for 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid is O=C(O)CCN1CCCC12CCC2.
What is the InChIKey of 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid?
The InChIKey is ZWDNNBWRUNORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)3-8-11-7-2-6-10(11)4-1-5-10/h1-8H2,(H,12,13).
What are the key properties of 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid?
3-(5-azaspiro[3.4]octan-5-yl)propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[3.4]octan-5-yl)propanoic acid is sourced from PubChem (CID 131038142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).