4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid

C13H25NO2 — CID 116908334

IUPAC4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)C(CC(C)(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16)9-11(14(3)4)10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyBBRDECZPIMQADW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid

4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid (PubChem CID 116908334) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
PubChem CID116908334
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)C(CC(C)(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16)9-11(14(3)4)10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyBBRDECZPIMQADW-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
CID 24812603
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
CID 116908291
5-cyclobutyl-5-(dimethylamino)pentanoic acid
CID 116907953
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
CID 65061861
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
CID 94119176
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
CID 119850478
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methylpropanamide
CID 119859184

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid (CID 116908334) is 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid is CN(C)C(CC(C)(C)C(=O)O)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The InChIKey is BBRDECZPIMQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,12(15)16)9-11(14(3)4)10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 116908334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).