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

C11H14ClNO2 — CID 76853888

IUPACmethyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8;/h2-4,10H,5-6,12H2,1H3;1H
InChIKeyPPTWLZCJJYQAKN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.32
Rot. Bonds1

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

methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (PubChem CID 76853888) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
PubChem CID76853888
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8;/h2-4,10H,5-6,12H2,1H3;1H
InChIKeyPPTWLZCJJYQAKN-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (CID 76853888) is methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CC(N)C2.Cl.
What is the InChIKey of methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The InChIKey is PPTWLZCJJYQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8;/h2-4,10H,5-6,12H2,1H3;1H.
What are the key properties of methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is sourced from PubChem (CID 76853888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).