methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate

C12H15NO3 — CID 83910529

IUPACmethyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2cc(OC)ccc21
InChIInChI=1S/C12H15NO3/c1-15-9-3-4-10-8(7-9)5-6-12(10,13)11(14)16-2/h3-4,7H,5-6,13H2,1-2H3
InChIKeyBMTGWFTUWAUKIK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds2

About methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate

methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate (PubChem CID 83910529) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
PubChem CID83910529
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2cc(OC)ccc21
InChIInChI=1S/C12H15NO3/c1-15-9-3-4-10-8(7-9)5-6-12(10,13)11(14)16-2/h3-4,7H,5-6,13H2,1-2H3
InChIKeyBMTGWFTUWAUKIK-UHFFFAOYSA-N
XLogP0.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
methyl 1-(cyclopropylmethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 61001121
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
methyl 5-methoxy-2'-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carboxylate
CID 79368968
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
methyl 7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463537
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate (CID 83910529) is methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate is COC(=O)C1(N)CCc2cc(OC)ccc21.
What is the InChIKey of methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate?
The InChIKey is BMTGWFTUWAUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-9-3-4-10-8(7-9)5-6-12(10,13)11(14)16-2/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate?
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 83910529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).