4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C13H21NO6 — CID 150784912

IUPAC4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOCOC1=C(C(=O)O)CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H21NO6/c1-13(2,3)20-12(17)14-6-5-10(19-8-18-4)9(7-14)11(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKeyKCQMVOMILSSWQL-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.59
Rot. Bonds4

About 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 150784912) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID150784912
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCOCOC1=C(C(=O)O)CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H21NO6/c1-13(2,3)20-12(17)14-6-5-10(19-8-18-4)9(7-14)11(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKeyKCQMVOMILSSWQL-UHFFFAOYSA-N
XLogP1.59
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 131429193
1-O-tert-butyl 5-O-methyl 4-[3-(methoxymethoxy)phenyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005941
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 22116092
tert-butyl (3Z)-3-(1-hydroxypropylidene)-4-oxopiperidine-1-carboxylate
CID 164822270
tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
CID 156839442
1-O-tert-butyl 5-O-methyl 4-(trifluoromethylsulfinyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 70320254
1-O-tert-butyl 4-O-methyl 5-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 139034369
tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
CID 162764911
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
tert-butyl 8-oxo-6,7-dihydro-4H-thieno[3,2-c]azepine-5-carboxylate
CID 71305794
tert-butyl 5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 71744311

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 150784912) is 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is COCOC1=C(C(=O)O)CN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is KCQMVOMILSSWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6/c1-13(2,3)20-12(17)14-6-5-10(19-8-18-4)9(7-14)11(15)16/h5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?
4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 150784912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).