2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid

C14H27NO2 — CID 107401707

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-9-14(3,13(16)17)11-15(5-2)10-12-7-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyARMPTCRRGUPHJP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds8

About 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid

2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid (PubChem CID 107401707) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
PubChem CID107401707
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CC)CC1CCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-9-14(3,13(16)17)11-15(5-2)10-12-7-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyARMPTCRRGUPHJP-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
CID 107401503
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid (CID 107401707) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid is CCCC(C)(CN(CC)CC1CCC1)C(=O)O.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid?
The InChIKey is ARMPTCRRGUPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-14(3,13(16)17)11-15(5-2)10-12-7-6-8-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 107401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).