2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid

C11H21NO2 — CID 64737986

IUPAC2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid
SMILESCC1CCC(N(C)CC(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-8-4-5-10(6-9(8)2)12(3)7-11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVMMQIRIRXYQMHU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid

2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid (PubChem CID 64737986) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid
PubChem CID64737986
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid
SMILESCC1CCC(N(C)CC(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-8-4-5-10(6-9(8)2)12(3)7-11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVMMQIRIRXYQMHU-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[(3,4-dimethylcyclohexyl)-methylamino]-N'-hydroxyethanimidamide
CID 77054342
2-[(3,4-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258041
2-(4-chloro-N-(3,4-dimethylcyclohexyl)anilino)acetic acid
CID 64739402
2-[methyl(oxetan-3-yl)amino]acetic acid
CID 82417781
2-[cyclopropyl-(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 60825503
2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
CID 146154016
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
CID 114952965
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[cyclohexyl(deuteriomethyl)amino]acetic acid
CID 176582981
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid (CID 64737986) is 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid is CC1CCC(N(C)CC(=O)O)CC1C.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid?
The InChIKey is VMMQIRIRXYQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-4-5-10(6-9(8)2)12(3)7-11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid?
2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid is sourced from PubChem (CID 64737986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).