2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid

C14H27NO2 — CID 114996932

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

About 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid

2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid (PubChem CID 114996932) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
PubChem CID114996932
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N(C)CC1CCC1
InChIInChI=1S/C14H27NO2/c1-4-9-14(10-5-2,13(16)17)15(3)11-12-7-6-8-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyINUAYIBVHXZOPL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid
CID 114996489
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-amino-N-(cyclopentylmethyl)-N,2-dimethylpentanamide;hydrochloride
CID 119759251
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid (CID 114996932) is 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid is CCCC(CCC)(C(=O)O)N(C)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid?
The InChIKey is INUAYIBVHXZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-14(10-5-2,13(16)17)15(3)11-12-7-6-8-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid?
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid is sourced from PubChem (CID 114996932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).