2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid

C14H27NO2 — CID 65064000

IUPAC2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-10(2)8-15(9-14(16)17)13-7-5-6-11(3)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyVDAYFUJTUUOARU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid

2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65064000) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
PubChem CID65064000
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-10(2)8-15(9-14(16)17)13-7-5-6-11(3)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyVDAYFUJTUUOARU-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064207
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
2-[(2,3-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059681
2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 61190950
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid (CID 65064000) is 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is VDAYFUJTUUOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)8-15(9-14(16)17)13-7-5-6-11(3)12(13)4/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65064000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).