2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid

C11H19NO3 — CID 77055405

IUPAC2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
SMILESCC1(C)CCCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2)6-3-4-9(5-7-11)12-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyGKFQMRNDPFLXEW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds3

About 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid

2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid (PubChem CID 77055405) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
PubChem CID77055405
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
SMILESCC1(C)CCCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-11(2)6-3-4-9(5-7-11)12-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyGKFQMRNDPFLXEW-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid (CID 77055405) is 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid is CC1(C)CCCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid?
The InChIKey is GKFQMRNDPFLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)6-3-4-9(5-7-11)12-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid?
2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic 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-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid is sourced from PubChem (CID 77055405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).