3-[2-cyclobutylethyl(methyl)amino]butanoic acid

C11H21NO2 — CID 117042297

IUPAC3-[2-cyclobutylethyl(methyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)CCC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(8-11(13)14)12(2)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRKZDEWIQVNEYEX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 3-[2-cyclobutylethyl(methyl)amino]butanoic acid

3-[2-cyclobutylethyl(methyl)amino]butanoic acid (PubChem CID 117042297) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[2-cyclobutylethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[2-cyclobutylethyl(methyl)amino]butanoic acid
PubChem CID117042297
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[2-cyclobutylethyl(methyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)CCC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(8-11(13)14)12(2)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRKZDEWIQVNEYEX-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
CID 119924723
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]butanoic acid?
The IUPAC name of 3-[2-cyclobutylethyl(methyl)amino]butanoic acid (CID 117042297) is 3-[2-cyclobutylethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 3-[2-cyclobutylethyl(methyl)amino]butanoic acid?
The canonical SMILES for 3-[2-cyclobutylethyl(methyl)amino]butanoic acid is CC(CC(=O)O)N(C)CCC1CCC1.
What is the InChIKey of 3-[2-cyclobutylethyl(methyl)amino]butanoic acid?
The InChIKey is RKZDEWIQVNEYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(8-11(13)14)12(2)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-cyclobutylethyl(methyl)amino]butanoic acid?
3-[2-cyclobutylethyl(methyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclobutylethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 117042297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).