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

C11H19NO3 — CID 170562772

IUPAC2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C1/CCCC1(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)/b12-8-
InChIKeyVZHYTRWBSUIVIM-WQLSENKSSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds3

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

2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid (PubChem CID 170562772) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
PubChem CID170562772
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C1/CCCC1(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)/b12-8-
InChIKeyVZHYTRWBSUIVIM-WQLSENKSSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid (CID 170562772) is 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid is CC(C)(O/N=C1/CCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
The InChIKey is VZHYTRWBSUIVIM-WQLSENKSSA-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)/b12-8-.
What are the key properties of 2-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid?
2-[(Z)-(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-[(Z)-(2,2-dimethylcyclopentylidene)amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 170562772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).