2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid

C11H21NO2 — CID 65236824

IUPAC2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
SMILESCNC1(CC(=O)O)CCCC(C)C1C
InChIInChI=1S/C11H21NO2/c1-8-5-4-6-11(12-3,9(8)2)7-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNTHIMHFALYUPRV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds3

About 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid

2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid (PubChem CID 65236824) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
PubChem CID65236824
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
SMILESCNC1(CC(=O)O)CCCC(C)C1C
InChIInChI=1S/C11H21NO2/c1-8-5-4-6-11(12-3,9(8)2)7-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNTHIMHFALYUPRV-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236956
methyl 2-[1-(ethylamino)-2,3-dimethylcyclohexyl]acetate
CID 65235186
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
[1-(4-chloroanilino)-2,3-dimethylcyclohexyl]methanol
CID 64756452
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883
methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236135
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid (CID 65236824) is 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid is CNC1(CC(=O)O)CCCC(C)C1C.
What is the InChIKey of 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid?
The InChIKey is NTHIMHFALYUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-5-4-6-11(12-3,9(8)2)7-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid?
2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 65236824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).