4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate

C11H21NO2 — CID 90655222

IUPAC4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate
SMILESC[N+](C)(CCCC(=O)[O-])CC1CCC1
InChIInChI=1S/C11H21NO2/c1-12(2,8-4-7-11(13)14)9-10-5-3-6-10/h10H,3-9H2,1-2H3
InChIKeyMDWCBLVOOPADHV-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.39
Rot. Bonds6

About 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate

4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate (PubChem CID 90655222) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate.

Molecular Properties

Compound Name4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate
PubChem CID90655222
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate
SMILESC[N+](C)(CCCC(=O)[O-])CC1CCC1
InChIInChI=1S/C11H21NO2/c1-12(2,8-4-7-11(13)14)9-10-5-3-6-10/h10H,3-9H2,1-2H3
InChIKeyMDWCBLVOOPADHV-UHFFFAOYSA-N
XLogP0.39
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-4-(trimethylammonio)butanoate
CID 20606311
Methyl 4-(diethylamino)-2-methylbutanoate
CID 19865975
4-(Dimethylamino)-2-ethylbutanoic acid
CID 21128859
4-(Diethylamino)-2-ethylbutanoic acid
CID 23621590
(3R)-3-methyl-4-(trimethylazaniumyl)butanoate
CID 59112277
Methyl 2-methyl-4-(piperidin-1-yl)butanoate
CID 67188788
Tetrabutylammonium cyclobutanecarboxylate
CID 69628031
2-Ethyl-4-[methyl(propyl)amino]butanoic acid
CID 89228950
Ethane;fluoro 1-ethylpiperidine-4-carboxylate
CID 142818246
4-(Diethylamino)-2-[2-(diethylamino)ethyl]butanoic acid
CID 150737889
2-[2-[2,2-Dimethylpropyl(dimethyl)azaniumyl]ethyl]-3,3-dimethylbutanoate
CID 153319116
1,1-Dimethylpiperidin-1-ium-4-carboxylate
CID 165347542

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate?
The IUPAC name of 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate (CID 90655222) is 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate.
What is the SMILES notation for 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate?
The canonical SMILES for 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate is C[N+](C)(CCCC(=O)[O-])CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate?
The InChIKey is MDWCBLVOOPADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12(2,8-4-7-11(13)14)9-10-5-3-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate?
4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate has a molecular weight of 199.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(dimethyl)azaniumyl]butanoate is sourced from PubChem (CID 90655222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).