methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride

C11H14ClNO2 — CID 67547238

IUPACmethyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2N.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12;/h2,4,6,10H,3,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyUOZGMHAMWDHRQO-PPHPATTJSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds1

About methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride

methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (PubChem CID 67547238) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
PubChem CID67547238
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC[C@@H]2N.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12;/h2,4,6,10H,3,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyUOZGMHAMWDHRQO-PPHPATTJSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The IUPAC name of methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (CID 67547238) is methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The canonical SMILES for methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CC[C@@H]2N.Cl.
What is the InChIKey of methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The InChIKey is UOZGMHAMWDHRQO-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-11(13)8-2-4-9-7(6-8)3-5-10(9)12;/h2,4,6,10H,3,5,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is sourced from PubChem (CID 67547238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).