2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid

C13H25NO2 — CID 65061140

IUPAC2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid
SMILESCC1CCC(C)C(N(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-9-6-7-10(2)11(8-9)14(5)13(3,4)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyNJOPGSCAUZAQGP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid

2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid (PubChem CID 65061140) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid
PubChem CID65061140
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid
SMILESCC1CCC(C)C(N(C)C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-9-6-7-10(2)11(8-9)14(5)13(3,4)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyNJOPGSCAUZAQGP-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-methyl-2-[methyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65060695
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
CID 65054451
2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
CID 79303348
2-[(2,5-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285353
(1S,2R,4R)-N,N,2,4-tetramethylcyclohexan-1-amine
CID 174078567
2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62821662
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
CID 65095103
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
2-methyl-2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 62820953
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid (CID 65061140) is 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid is CC1CCC(C)C(N(C)C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is NJOPGSCAUZAQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9-6-7-10(2)11(8-9)14(5)13(3,4)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid?
2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylcyclohexyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65061140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).