methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate

C11H13NO2 — CID 67850264

IUPACmethyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3/t11-/m1/s1
InChIKeyLMEYOVHVNJPYHW-LLVKDONJSA-N
MW191.23 g/mol
LogP0.96
Rot. Bonds1

About methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate

methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate (PubChem CID 67850264) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
PubChem CID67850264
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3/t11-/m1/s1
InChIKeyLMEYOVHVNJPYHW-LLVKDONJSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
CID 83907472
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
CID 11086141
methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463415
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
CID 83913309
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate (CID 67850264) is methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate is COC(=O)[C@@]1(N)CCc2ccccc21.
What is the InChIKey of methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate?
The InChIKey is LMEYOVHVNJPYHW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)11(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3/t11-/m1/s1.
What are the key properties of methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate?
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 67850264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).