2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid

C11H19NO3 — CID 167352363

IUPAC2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid
SMILESCC1CCCC/C1=N\OC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-6-4-5-7-9(8)12-15-11(2,3)10(13)14/h8H,4-7H2,1-3H3,(H,13,14)/b12-9+
InChIKeyCLIODYOJRNFHFB-FMIVXFBMSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid

2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid (PubChem CID 167352363) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid
PubChem CID167352363
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid
SMILESCC1CCCC/C1=N\OC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-6-4-5-7-9(8)12-15-11(2,3)10(13)14/h8H,4-7H2,1-3H3,(H,13,14)/b12-9+
InChIKeyCLIODYOJRNFHFB-FMIVXFBMSA-N
XLogP2.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic 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

2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid
CID 167352378
2-methyl-2-[(E)-3-methylbutan-2-ylideneamino]oxypropanoic acid
CID 167352384
2-methyl-2-[(E)-3-methylpentan-2-ylideneamino]oxypropanoic acid
CID 167352444
2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid
CID 167352451
2-(1-Cyclobutylethylideneamino)oxy-2-methylpropanoic acid
CID 134969467
2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
CID 162404632
2-[(E)-(1-cyclohexyl-4-methylpentylidene)amino]oxy-2-methylpropanoic acid
CID 177851996
2-methyl-2-[(E)-(2-methylcyclopentylidene)amino]oxypropanoic acid
CID 167352411
2-[(E)-1-cyclohexylethylideneamino]oxy-2-methylpropanoic acid
CID 167352416
2-methyl-2-[(E)-4-methylpentan-2-ylideneamino]oxypropanoic acid
CID 167352466
2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
CID 170562772
2-[(2,2-Dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
CID 175496142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid (CID 167352363) is 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid is CC1CCCC/C1=N\OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid?
The InChIKey is CLIODYOJRNFHFB-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-6-4-5-7-9(8)12-15-11(2,3)10(13)14/h8H,4-7H2,1-3H3,(H,13,14)/b12-9+.
What are the key properties of 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid?
2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-(2-methylcyclohexylidene)amino]oxypropanoic acid is sourced from PubChem (CID 167352363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).