4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid

C13H25NO3 — CID 114494786

IUPAC4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C)(O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H25NO3/c1-9(2)13(3,17)8-14-11-6-4-10(5-7-11)12(15)16/h9-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyDHZZOYKGZCOROJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds5

About 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid

4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114494786) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114494786
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C)(O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H25NO3/c1-9(2)13(3,17)8-14-11-6-4-10(5-7-11)12(15)16/h9-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyDHZZOYKGZCOROJ-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 115149167
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122031136
4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122039022
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809879
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
4-(but-2-ynylamino)cyclohexane-1-carboxylic acid
CID 62312161
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid (CID 114494786) is 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid is CC(C)C(C)(O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DHZZOYKGZCOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)13(3,17)8-14-11-6-4-10(5-7-11)12(15)16/h9-11,14,17H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114494786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).