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

C12H15NO3 — CID 115032558

IUPACmethyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2cc(OC)ccc2C1N
InChIInChI=1S/C12H15NO3/c1-15-8-3-4-9-7(5-8)6-10(11(9)13)12(14)16-2/h3-5,10-11H,6,13H2,1-2H3
InChIKeyZDTDUDSEIJFZFS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.04
Rot. Bonds2

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

methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 115032558) 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-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID115032558
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2cc(OC)ccc2C1N
InChIInChI=1S/C12H15NO3/c1-15-8-3-4-9-7(5-8)6-10(11(9)13)12(14)16-2/h3-5,10-11H,6,13H2,1-2H3
InChIKeyZDTDUDSEIJFZFS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
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methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
dimethyl 6-[[6,7-bis(methoxycarbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 177312136
methyl (1R,2R)-5-bromo-1-(4-methoxyanilino)-2,3-dihydro-1H-indene-2-carboxylate
CID 71662013
methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033822
methyl (3R)-6-methoxy-1-(4-methoxycarbonylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 155138512
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 96722646
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418
1-O-methyl 2-O-(2-methylpropyl) 6-methoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 68500018
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate (CID 115032558) is methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)C1Cc2cc(OC)ccc2C1N.
What is the InChIKey of methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is ZDTDUDSEIJFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-8-3-4-9-7(5-8)6-10(11(9)13)12(14)16-2/h3-5,10-11H,6,13H2,1-2H3.
What are the key properties of methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate?
methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.04, 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-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 115032558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).