4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid

C9H16N2O5 — CID 173103680

IUPAC4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid
SMILESCON=C1CN(C(=O)O)CCC1(OC)OC
InChIInChI=1S/C9H16N2O5/c1-14-9(15-2)4-5-11(8(12)13)6-7(9)10-16-3/h4-6H2,1-3H3,(H,12,13)
InChIKeyMNONODAZKNTJQK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.36
Rot. Bonds3

About 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid

4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid (PubChem CID 173103680) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid
PubChem CID173103680
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid
SMILESCON=C1CN(C(=O)O)CCC1(OC)OC
InChIInChI=1S/C9H16N2O5/c1-14-9(15-2)4-5-11(8(12)13)6-7(9)10-16-3/h4-6H2,1-3H3,(H,12,13)
InChIKeyMNONODAZKNTJQK-UHFFFAOYSA-N
XLogP0.36
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid
CID 141406585
3-[(2-methylpropan-2-yl)oxyimino]azetidine-1-carboxylic acid
CID 146314208
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-(2-chloroethyl)-4-methoxycarbonylpiperidine-1-carboxylic acid
CID 69179288
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
3-(3,5-difluorophenyl)-3-methoxypyrrolidine-1-carboxylic acid
CID 67441553
(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 102568381
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid?
The IUPAC name of 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid (CID 173103680) is 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid?
The canonical SMILES for 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid is CON=C1CN(C(=O)O)CCC1(OC)OC.
What is the InChIKey of 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid?
The InChIKey is MNONODAZKNTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-14-9(15-2)4-5-11(8(12)13)6-7(9)10-16-3/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid?
4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid is sourced from PubChem (CID 173103680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).