3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid

C12H23NO3 — CID 104644528

IUPAC3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CCC(NCC(C)(O)C(=O)O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-8-4-5-10(9(2)6-8)13-7-12(3,16)11(14)15/h8-10,13,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyCVXXEFFKSSAFGY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.24
Rot. Bonds4

About 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644528) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104644528
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CCC(NCC(C)(O)C(=O)O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-8-4-5-10(9(2)6-8)13-7-12(3,16)11(14)15/h8-10,13,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyCVXXEFFKSSAFGY-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol
CID 104531548
N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine
CID 103460870
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63994710
N'-(2,4-dimethylcyclohexyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 64773894
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 104644781
2-(2,4-dimethylcyclohexyl)-2-hydroxypropanoic acid
CID 79303348
2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine
CID 83143221
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103251979
2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
CID 79304052

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 104644528) is 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid is CC1CCC(NCC(C)(O)C(=O)O)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CVXXEFFKSSAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-4-5-10(9(2)6-8)13-7-12(3,16)11(14)15/h8-10,13,16H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).