2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid

C11H19NO3 — CID 175496142

IUPAC2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
SMILESCC1(C)CCCC1=NOC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2)7-5-6-8(10)12-15-11(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyVZHYTRWBSUIVIM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds3

About 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid

2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid (PubChem CID 175496142) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
PubChem CID175496142
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
SMILESCC1(C)CCCC1=NOC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-10(2)7-5-6-8(10)12-15-11(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyVZHYTRWBSUIVIM-UHFFFAOYSA-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-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid (CID 175496142) is 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid is CC1(C)CCCC1=NOC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The InChIKey is VZHYTRWBSUIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)7-5-6-8(10)12-15-11(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
2-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic 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-[(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 175496142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).