ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate

C14H19NO2 — CID 59314113

IUPACethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)[C@H](C)c2ccccc2[C@@H]1C
InChIInChI=1S/C14H19NO2/c1-4-17-13(16)14(15)9(2)11-7-5-6-8-12(11)10(14)3/h5-10H,4,15H2,1-3H3/t9-,10+,14?
InChIKeyWWAOHWGMVSCBFP-XFLKPENQSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds2

About ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate

ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate (PubChem CID 59314113) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate
PubChem CID59314113
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)[C@H](C)c2ccccc2[C@@H]1C
InChIInChI=1S/C14H19NO2/c1-4-17-13(16)14(15)9(2)11-7-5-6-8-12(11)10(14)3/h5-10H,4,15H2,1-3H3/t9-,10+,14?
InChIKeyWWAOHWGMVSCBFP-XFLKPENQSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate (CID 59314113) is ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)[C@H](C)c2ccccc2[C@@H]1C.
What is the InChIKey of ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate?
The InChIKey is WWAOHWGMVSCBFP-XFLKPENQSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-17-13(16)14(15)9(2)11-7-5-6-8-12(11)10(14)3/h5-10H,4,15H2,1-3H3/t9-,10+,14?.
What are the key properties of ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate?
ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,3S)-2-amino-1,3-dimethyl-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).