methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate

C12H15NO3 — CID 166125955

IUPACmethyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1c2c(O)cccc2CC1N
InChIInChI=1S/C12H15NO3/c1-16-11(15)6-8-9(13)5-7-3-2-4-10(14)12(7)8/h2-4,8-9,14H,5-6,13H2,1H3
InChIKeyRDNSDARRXDNJJV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.92
Rot. Bonds2

About methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 166125955) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID166125955
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1c2c(O)cccc2CC1N
InChIInChI=1S/C12H15NO3/c1-16-11(15)6-8-9(13)5-7-3-2-4-10(14)12(7)8/h2-4,8-9,14H,5-6,13H2,1H3
InChIKeyRDNSDARRXDNJJV-UHFFFAOYSA-N
XLogP0.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
methyl 4-[(2-amino-7-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]butanoate
CID 166125910
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 105427855
methyl 4-[(2-amino-7-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]butanoate
CID 166125387
methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
CID 66636862
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
methyl 3-(2-amino-2,3-dihydro-1H-inden-1-yl)-5-methoxypentanoate
CID 68597111
ethyl 2-[2-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-1-yl]acetate
CID 139496841

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate (CID 166125955) is methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)CC1c2c(O)cccc2CC1N.
What is the InChIKey of methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is RDNSDARRXDNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11(15)6-8-9(13)5-7-3-2-4-10(14)12(7)8/h2-4,8-9,14H,5-6,13H2,1H3.
What are the key properties of methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 221.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 166125955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).