3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid

C11H19NO2 — CID 84667807

IUPAC3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
SMILESCN1CCC2(CC1)CC2CCC(=O)O
InChIInChI=1S/C11H19NO2/c1-12-6-4-11(5-7-12)8-9(11)2-3-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyNSGKBNBRGCPBJN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

About 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid

3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid (PubChem CID 84667807) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
PubChem CID84667807
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
SMILESCN1CCC2(CC1)CC2CCC(=O)O
InChIInChI=1S/C11H19NO2/c1-12-6-4-11(5-7-12)8-9(11)2-3-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyNSGKBNBRGCPBJN-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
CID 84666482
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide
CID 154671249
3-(2,2-dichlorocyclopropyl)propanoic acid
CID 122163708
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
1-(6-methyl-6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84658706
3-(3-amino-2,2-dimethylcyclobutyl)propanoic acid
CID 73094410
3-[(1R,3R)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656123
3-[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656122
ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
CID 166466919

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid (CID 84667807) is 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid is CN1CCC2(CC1)CC2CCC(=O)O.
What is the InChIKey of 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid?
The InChIKey is NSGKBNBRGCPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-6-4-11(5-7-12)8-9(11)2-3-10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid?
3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid is sourced from PubChem (CID 84667807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).