methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride

C12H16ClNO3 — CID 86744373

IUPACmethyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-15-12(14)7-16-11-3-2-8-4-10(13)5-9(8)6-11;/h2-3,6,10H,4-5,7,13H2,1H3;1H
InChIKeyMHVCARFFHYLBMC-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.09
Rot. Bonds3

About methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride

methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride (PubChem CID 86744373) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
PubChem CID86744373
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc2c(c1)CC(N)C2.Cl
InChIInChI=1S/C12H15NO3.ClH/c1-15-12(14)7-16-11-3-2-8-4-10(13)5-9(8)6-11;/h2-3,6,10H,4-5,7,13H2,1H3;1H
InChIKeyMHVCARFFHYLBMC-UHFFFAOYSA-N
XLogP1.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
CID 59230168
2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride
CID 19888707
ethyl 2-[[7-(2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 23191781
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride (CID 86744373) is methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride is COC(=O)COc1ccc2c(c1)CC(N)C2.Cl.
What is the InChIKey of methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride?
The InChIKey is MHVCARFFHYLBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c1-15-12(14)7-16-11-3-2-8-4-10(13)5-9(8)6-11;/h2-3,6,10H,4-5,7,13H2,1H3;1H.
What are the key properties of methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride?
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride is sourced from PubChem (CID 86744373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).