2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid

C12H21NO3 — CID 121204407

IUPAC2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid
SMILESCOCC1CN(C(C)C(=O)O)CC12CCC2
InChIInChI=1S/C12H21NO3/c1-9(11(14)15)13-6-10(7-16-2)12(8-13)4-3-5-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNBPHKAZUKSFGLI-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds4

About 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid

2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid (PubChem CID 121204407) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid.

Molecular Properties

Compound Name2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid
PubChem CID121204407
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid
SMILESCOCC1CN(C(C)C(=O)O)CC12CCC2
InChIInChI=1S/C12H21NO3/c1-9(11(14)15)13-6-10(7-16-2)12(8-13)4-3-5-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyNBPHKAZUKSFGLI-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
CID 121202742
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
4-(methoxymethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922024
3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
CID 121204411
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
4-(methoxymethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 121202837
4-(methoxymethyl)-8-propan-2-yl-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155860609
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
CID 129497432
cyclobutyl-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155853117

Frequently Asked Questions

What is the IUPAC name of 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid?
The IUPAC name of 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid (CID 121204407) is 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid.
What is the SMILES notation for 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid?
The canonical SMILES for 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid is COCC1CN(C(C)C(=O)O)CC12CCC2.
What is the InChIKey of 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid?
The InChIKey is NBPHKAZUKSFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(11(14)15)13-6-10(7-16-2)12(8-13)4-3-5-12/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid?
2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propanoic acid is sourced from PubChem (CID 121204407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).