ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate

C14H19NO4 — CID 91306842

IUPACethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-10(8-14)12(18-3)6-5-11(9)17-2/h5-6H,4,7-8,15H2,1-3H3
InChIKeyBYLRPBPXKKNADJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate (PubChem CID 91306842) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
PubChem CID91306842
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-10(8-14)12(18-3)6-5-11(9)17-2/h5-6H,4,7-8,15H2,1-3H3
InChIKeyBYLRPBPXKKNADJ-UHFFFAOYSA-N
XLogP1.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 11161407
ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
CID 91348519
1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
CID 158400302
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
CID 10634763
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate (CID 91306842) is ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2c(OC)ccc(OC)c2C1.
What is the InChIKey of ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is BYLRPBPXKKNADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-10(8-14)12(18-3)6-5-11(9)17-2/h5-6H,4,7-8,15H2,1-3H3.
What are the key properties of ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 91306842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).