ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride

C12H16ClNO2 — CID 131852452

IUPACethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1Cc2ccccc2[C@H]1N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13;/h3-6,10-11H,2,7,13H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyVBDYBLKMUZPABV-VZXYPILPSA-N
MW241.72 g/mol
LogP1.84
Rot. Bonds2

About ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride

ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride (PubChem CID 131852452) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
PubChem CID131852452
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Nameethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1Cc2ccccc2[C@H]1N.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13;/h3-6,10-11H,2,7,13H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyVBDYBLKMUZPABV-VZXYPILPSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The IUPAC name of ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride (CID 131852452) is ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride is CCOC(=O)[C@H]1Cc2ccccc2[C@H]1N.Cl.
What is the InChIKey of ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
The InChIKey is VBDYBLKMUZPABV-VZXYPILPSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13;/h3-6,10-11H,2,7,13H2,1H3;1H/t10-,11+;/m0./s1.
What are the key properties of ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride?
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride is sourced from PubChem (CID 131852452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).