2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid

C9H15NO3 — CID 81082367

IUPAC2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CC2(CC2)C1
InChIInChI=1S/C9H15NO3/c1-13-4-7(8(11)12)10-5-9(6-10)2-3-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyIEZZZOYAUKRMIP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.18
Rot. Bonds4

About 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid

2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid (PubChem CID 81082367) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
PubChem CID81082367
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CC2(CC2)C1
InChIInChI=1S/C9H15NO3/c1-13-4-7(8(11)12)10-5-9(6-10)2-3-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyIEZZZOYAUKRMIP-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid (CID 81082367) is 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1CC2(CC2)C1.
What is the InChIKey of 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid?
The InChIKey is IEZZZOYAUKRMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-4-7(8(11)12)10-5-9(6-10)2-3-9/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid?
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 81082367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).