ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate

C13H17NO3 — CID 45112147

IUPACethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)[C@@]1(N)Cc2ccc(OC)cc2C1
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)13(14)7-9-4-5-11(16-2)6-10(9)8-13/h4-6H,3,7-8,14H2,1-2H3/t13-/m1/s1
InChIKeyJDOSICRNTWDKSP-CYBMUJFWSA-N
MW235.28 g/mol
LogP1.05
Rot. Bonds3

About ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate

ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate (PubChem CID 45112147) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
PubChem CID45112147
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)[C@@]1(N)Cc2ccc(OC)cc2C1
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)13(14)7-9-4-5-11(16-2)6-10(9)8-13/h4-6H,3,7-8,14H2,1-2H3/t13-/m1/s1
InChIKeyJDOSICRNTWDKSP-CYBMUJFWSA-N
XLogP1.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
CID 10634763
ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate
CID 79374121
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
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate (CID 45112147) is ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate is CCOC(=O)[C@@]1(N)Cc2ccc(OC)cc2C1.
What is the InChIKey of ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is JDOSICRNTWDKSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-12(15)13(14)7-9-4-5-11(16-2)6-10(9)8-13/h4-6H,3,7-8,14H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate?
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 45112147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).