2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid

C12H19NO3 — CID 139761891

IUPAC2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid
SMILESCC12CCC(CC1=NOCC(=O)O)C2(C)C
InChIInChI=1S/C12H19NO3/c1-11(2)8-4-5-12(11,3)9(6-8)13-16-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDVZDFEPHUWBRIV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.29
Rot. Bonds3

About 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid

2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid (PubChem CID 139761891) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid
PubChem CID139761891
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid
SMILESCC12CCC(CC1=NOCC(=O)O)C2(C)C
InChIInChI=1S/C12H19NO3/c1-11(2)8-4-5-12(11,3)9(6-8)13-16-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDVZDFEPHUWBRIV-UHFFFAOYSA-N
XLogP2.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.29
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-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid (CID 139761891) is 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid is CC12CCC(CC1=NOCC(=O)O)C2(C)C.
What is the InChIKey of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid?
The InChIKey is DVZDFEPHUWBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2)8-4-5-12(11,3)9(6-8)13-16-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid?
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid has a molecular weight of 225.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid is sourced from PubChem (CID 139761891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).