3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid

C8H14N2O3 — CID 146314208

IUPAC3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid
SMILESCC(C)(C)ON=C1CN(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)13-9-6-4-10(5-6)7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyHWSAQVDSQKZFGG-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.15
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid

3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid (PubChem CID 146314208) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid
PubChem CID146314208
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid
SMILESCC(C)(C)ON=C1CN(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)13-9-6-4-10(5-6)7(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyHWSAQVDSQKZFGG-UHFFFAOYSA-N
XLogP1.15
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.15
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

1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine
CID 131175414
tert-butyl 3-carbamoyliminoazetidine-1-carboxylate
CID 162513112
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103680
tert-butyl 3-[4-(trifluoromethyl)benzoyl]oxyiminoazetidine-1-carboxylate
CID 162514878
5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
CID 11390503
tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate
CID 142435503
3-methyl-5-oxo-4-trimethylsilyl-2,6-dihydropyridine-1-carboxylic acid
CID 123484224
5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
CID 141148713

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid (CID 146314208) is 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid is CC(C)(C)ON=C1CN(C(=O)O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid?
The InChIKey is HWSAQVDSQKZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2,3)13-9-6-4-10(5-6)7(11)12/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid?
3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid is sourced from PubChem (CID 146314208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).