ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate

C14H19NO4 — CID 24977741

IUPACethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-5-11(17-2)12(18-3)6-10(9)8-14/h5-6H,4,7-8,15H2,1-3H3
InChIKeyBBXZMLUPQKDHQV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate (PubChem CID 24977741) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
PubChem CID24977741
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-5-11(17-2)12(18-3)6-10(9)8-14/h5-6H,4,7-8,15H2,1-3H3
InChIKeyBBXZMLUPQKDHQV-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 (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
CID 10634763
ethyl 13-aminopentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxylate
CID 102066296
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549
ethyl 2-(3-chloropropyl)-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylate
CID 58737323
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
3-O-[2-[[12,19-bis[2-(3-ethoxy-3-oxopropanoyl)oxyethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl] 1-O-ethyl propanedioate
CID 100938271
triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
CID 59398642
ethyl 2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate (CID 24977741) is ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is BBXZMLUPQKDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-13(16)14(15)7-9-5-11(17-2)12(18-3)6-10(9)8-14/h5-6H,4,7-8,15H2,1-3H3.
What are the key properties of ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-5,6-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-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 24977741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).