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

C12H14ClNO2 — CID 97290484

IUPACethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)[C@@]1(N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12/h3-5H,2,6-7,14H2,1H3/t12-/m1/s1
InChIKeyYSKZOOQTXATSJP-GFCCVEGCSA-N
MW239.70 g/mol
LogP1.70
Rot. Bonds2

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

ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate (PubChem CID 97290484) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
PubChem CID97290484
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Nameethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)[C@@]1(N)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12/h3-5H,2,6-7,14H2,1H3/t12-/m1/s1
InChIKeyYSKZOOQTXATSJP-GFCCVEGCSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 5-chloro-2-(propylamino)-1,3-dihydroindene-2-carboxylate
CID 113291830
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl 5-chloro-2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 113291841
ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
CID 146095225
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
5-chloro-2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid;2-cyclobutyloxy-3-methylbenzoic acid;ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;ethyl 5-chloro-2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 160759482
ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
CID 91348519
5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
CID 115349249
ethyl 2-[(2-bromoacetyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylate
CID 68666879

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate (CID 97290484) is ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate is CCOC(=O)[C@@]1(N)Cc2ccc(Cl)cc2C1.
What is the InChIKey of ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate?
The InChIKey is YSKZOOQTXATSJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12/h3-5H,2,6-7,14H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate?
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 97290484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).