5-cyclobutyl-5-(dimethylamino)pentanoic acid

C11H21NO2 — CID 116907953

IUPAC5-cyclobutyl-5-(dimethylamino)pentanoic acid
SMILESCN(C)C(CCCC(=O)O)C1CCC1
InChIInChI=1S/C11H21NO2/c1-12(2)10(9-5-3-6-9)7-4-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySFGJTBNEUKCRIH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 5-cyclobutyl-5-(dimethylamino)pentanoic acid

5-cyclobutyl-5-(dimethylamino)pentanoic acid (PubChem CID 116907953) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-cyclobutyl-5-(dimethylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclobutyl-5-(dimethylamino)pentanoic acid
PubChem CID116907953
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-cyclobutyl-5-(dimethylamino)pentanoic acid
SMILESCN(C)C(CCCC(=O)O)C1CCC1
InChIInChI=1S/C11H21NO2/c1-12(2)10(9-5-3-6-9)7-4-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySFGJTBNEUKCRIH-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

5-cyclopentylhexanoic acid
CID 69016722
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
CID 116908291
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-5-(dimethylamino)pentanoic acid?
The IUPAC name of 5-cyclobutyl-5-(dimethylamino)pentanoic acid (CID 116907953) is 5-cyclobutyl-5-(dimethylamino)pentanoic acid.
What is the SMILES notation for 5-cyclobutyl-5-(dimethylamino)pentanoic acid?
The canonical SMILES for 5-cyclobutyl-5-(dimethylamino)pentanoic acid is CN(C)C(CCCC(=O)O)C1CCC1.
What is the InChIKey of 5-cyclobutyl-5-(dimethylamino)pentanoic acid?
The InChIKey is SFGJTBNEUKCRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12(2)10(9-5-3-6-9)7-4-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-cyclobutyl-5-(dimethylamino)pentanoic acid?
5-cyclobutyl-5-(dimethylamino)pentanoic 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 5-cyclobutyl-5-(dimethylamino)pentanoic acid is sourced from PubChem (CID 116907953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).