(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C20H24N2O8 — CID 167307085

IUPAC(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCC1=C(COC(=O)OCOC(=O)n2cc(CCN(C)C)c3ccccc32)OC(O)O1
InChIInChI=1S/C20H24N2O8/c1-13-17(30-20(25)29-13)11-26-19(24)28-12-27-18(23)22-10-14(8-9-21(2)3)15-6-4-5-7-16(15)22/h4-7,10,20,25H,8-9,11-12H2,1-3H3
InChIKeyPMFJJGJMGSJBQA-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.39
Rot. Bonds7

About (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 167307085) has the molecular formula C20H24N2O8 and a molecular weight of 420.42 g/mol. Its IUPAC name is (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID167307085
Molecular FormulaC20H24N2O8
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCC1=C(COC(=O)OCOC(=O)n2cc(CCN(C)C)c3ccccc32)OC(O)O1
InChIInChI=1S/C20H24N2O8/c1-13-17(30-20(25)29-13)11-26-19(24)28-12-27-18(23)22-10-14(8-9-21(2)3)15-6-4-5-7-16(15)22/h4-7,10,20,25H,8-9,11-12H2,1-3H3
InChIKeyPMFJJGJMGSJBQA-UHFFFAOYSA-N
XLogP2.39
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate 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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467519
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036
(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931262
butane;ethane;2-morpholin-4-ylethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467522

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 167307085) is (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CC1=C(COC(=O)OCOC(=O)n2cc(CCN(C)C)c3ccccc32)OC(O)O1.
What is the InChIKey of (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is PMFJJGJMGSJBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O8/c1-13-17(30-20(25)29-13)11-26-19(24)28-12-27-18(23)22-10-14(8-9-21(2)3)15-6-4-5-7-16(15)22/h4-7,10,20,25H,8-9,11-12H2,1-3H3.
What are the key properties of (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 420.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 167307085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).