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

C11H14ClNO2 — CID 67546134

IUPACmethyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCC2N.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
InChIKeyUOZGMHAMWDHRQO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds1

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

methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (PubChem CID 67546134) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
PubChem CID67546134
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCC2N.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
InChIKeyUOZGMHAMWDHRQO-UHFFFAOYSA-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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Related Compounds

Methyl 4-(aminomethyl)benzoate
CID 571728
Methyl 4-(aminomethyl)benzoate hydrochloride
CID 2729253
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Methyl 4-(2-aminoethyl)benzoate hydrochloride
CID 13078671
Methyl 4-((1S)-1-aminoethyl)benzoate
CID 17751895
Methyl 3-(1-aminoethyl)benzoate
CID 19933442
Methyl 4-(2-aminopropyl)benzoate hydrochloride
CID 19974350
4-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride
CID 20134239
2-amino-2,3-dihydro-1H-indene-5-carboxylic acid hydrochloride
CID 22719621
(S)-Methyl 4-(1-aminoethyl)benzoate hydrochloride
CID 57462942
Methyl 6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride
CID 66663107
4-(Aminomethyl)-2-methylbenzoic acid hydrochloride
CID 66699016

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride (CID 67546134) is methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CCC2N.Cl.
What is the InChIKey of methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
The InChIKey is UOZGMHAMWDHRQO-UHFFFAOYSA-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.
What are the key properties of methyl 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride?
methyl 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 1-amino-2,3-dihydro-1H-indene-5-carboxylate;hydrochloride is sourced from PubChem (CID 67546134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).