[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate

C13H19NO7 — CID 67879819

IUPAC[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
SMILESCOCCOC(=O)OC1=CNC=C(OC(=O)OC(C)C)C1
InChIInChI=1S/C13H19NO7/c1-9(2)19-13(16)21-11-6-10(7-14-8-11)20-12(15)18-5-4-17-3/h7-9,14H,4-6H2,1-3H3
InChIKeyRCWSYENNJQPEBL-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.02
Rot. Bonds6

About [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate

[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate (PubChem CID 67879819) has the molecular formula C13H19NO7 and a molecular weight of 301.30 g/mol. Its IUPAC name is [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
PubChem CID67879819
Molecular FormulaC13H19NO7
Molecular Weight301.30 g/mol
Exact Mass301.12
IUPAC Name[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
SMILESCOCCOC(=O)OC1=CNC=C(OC(=O)OC(C)C)C1
InChIInChI=1S/C13H19NO7/c1-9(2)19-13(16)21-11-6-10(7-14-8-11)20-12(15)18-5-4-17-3/h7-9,14H,4-6H2,1-3H3
InChIKeyRCWSYENNJQPEBL-UHFFFAOYSA-N
XLogP2.02
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate 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

1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
2-bromoethyl propan-2-yl carbonate
CID 103970527
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
4-oxo-4-(2-propan-2-yloxycarbonyloxyethoxy)but-2-enoic acid
CID 91591713
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
propan-2-yl (6-propan-2-yloxycarbonyloxypyridazin-3-yl) carbonate
CID 70240221
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
propan-2-yl 6-[[4-(methoxymethyl)dithiolan-4-yl]methoxycarbonyloxy]hexanoate
CID 130184556
methyl (2S)-2-amino-2-[[3,4-bis(propan-2-yloxycarbonyloxy)phenyl]methyl]-4-(2-methylpropoxycarbonyloxy)butanoate
CID 66946445

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The IUPAC name of [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate (CID 67879819) is [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate.
What is the SMILES notation for [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The canonical SMILES for [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate is COCCOC(=O)OC1=CNC=C(OC(=O)OC(C)C)C1.
What is the InChIKey of [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The InChIKey is RCWSYENNJQPEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO7/c1-9(2)19-13(16)21-11-6-10(7-14-8-11)20-12(15)18-5-4-17-3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
[5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate has a molecular weight of 301.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 67879819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).