methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate

C11H13NO2 — CID 98007137

IUPACmethyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@H](N)C2
InChIInChI=1S/C11H13NO2/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h2-4,10H,5-6,12H2,1H3/t10-/m1/s1
InChIKeySGAIDXAIUTTWQZ-SNVBAGLBSA-N
MW191.23 g/mol
LogP0.90
Rot. Bonds1

About methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate

methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 98007137) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID98007137
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@H](N)C2
InChIInChI=1S/C11H13NO2/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h2-4,10H,5-6,12H2,1H3/t10-/m1/s1
InChIKeySGAIDXAIUTTWQZ-SNVBAGLBSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
methyl (1R,10S,13R)-13-amino-13-(propylaminomethyl)tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylate
CID 90916506
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl (1S,10R,13R)-13-amino-13-[(2,2,2-trifluoroethylamino)methyl]tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylate
CID 58631466
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
methyl (1R,10S)-13-tert-butylsulfonyliminotricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylate
CID 71121114
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
methyl (4S)-4-amino-3,4-dihydro-1H-isochromene-6-carboxylate
CID 131598738
2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
CID 174490789

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate (CID 98007137) is methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)C[C@H](N)C2.
What is the InChIKey of methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is SGAIDXAIUTTWQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h2-4,10H,5-6,12H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate?
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 98007137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).