3-cyclohexyl-3-(dimethylamino)butanoic acid

C12H23NO2 — CID 64527768

IUPAC3-cyclohexyl-3-(dimethylamino)butanoic acid
SMILESCN(C)C(C)(CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(13(2)3,9-11(14)15)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyXLRGJUYQVSPGPS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds4

About 3-cyclohexyl-3-(dimethylamino)butanoic acid

3-cyclohexyl-3-(dimethylamino)butanoic acid (PubChem CID 64527768) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-cyclohexyl-3-(dimethylamino)butanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-(dimethylamino)butanoic acid
PubChem CID64527768
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-cyclohexyl-3-(dimethylamino)butanoic acid
SMILESCN(C)C(C)(CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(13(2)3,9-11(14)15)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyXLRGJUYQVSPGPS-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
acetic acid;tert-butylcyclohexane
CID 69013500
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
CID 18966300
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
CID 120524978

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(dimethylamino)butanoic acid?
The IUPAC name of 3-cyclohexyl-3-(dimethylamino)butanoic acid (CID 64527768) is 3-cyclohexyl-3-(dimethylamino)butanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-(dimethylamino)butanoic acid?
The canonical SMILES for 3-cyclohexyl-3-(dimethylamino)butanoic acid is CN(C)C(C)(CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(dimethylamino)butanoic acid?
The InChIKey is XLRGJUYQVSPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(13(2)3,9-11(14)15)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-cyclohexyl-3-(dimethylamino)butanoic acid?
3-cyclohexyl-3-(dimethylamino)butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(dimethylamino)butanoic acid is sourced from PubChem (CID 64527768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).