2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid

C11H19NO3 — CID 77013354

IUPAC2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CC(=NOCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-8-4-9(6-11(2,3)5-8)12-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyMZDXWUMXFDFJRC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.29
Rot. Bonds3

About 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid

2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid (PubChem CID 77013354) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid
PubChem CID77013354
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CC(=NOCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-8-4-9(6-11(2,3)5-8)12-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyMZDXWUMXFDFJRC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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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Related Compounds

2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
CID 64734999
2-[(3,3-dimethylcyclopentylidene)amino]oxyacetic acid
CID 80700054
2-[(3-methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
CID 77055405
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088
N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
CID 129434317
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523
N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
CID 4637201
(2Z)-2-cyano-2-(3,3,5-trimethylcyclohexylidene)acetic acid
CID 118334554
2-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid (CID 77013354) is 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid is CC1CC(=NOCC(=O)O)CC(C)(C)C1.
What is the InChIKey of 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is MZDXWUMXFDFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-9(6-11(2,3)5-8)12-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid?
2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 213.28 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-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 77013354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).