methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate

C11H13NO3 — CID 166125485

IUPACmethyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cc(O)cc2c1CC(N)C2
InChIInChI=1S/C11H13NO3/c1-15-11(14)10-5-8(13)3-6-2-7(12)4-9(6)10/h3,5,7,13H,2,4,12H2,1H3
InChIKeyVQFQKNOUSOFLFJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.60
Rot. Bonds1

About methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate

methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 166125485) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID166125485
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cc(O)cc2c1CC(N)C2
InChIInChI=1S/C11H13NO3/c1-15-11(14)10-5-8(13)3-6-2-7(12)4-9(6)10/h3,5,7,13H,2,4,12H2,1H3
InChIKeyVQFQKNOUSOFLFJ-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
CID 171725932
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
dimethyl 5-hydroxy-2-nitrobenzene-1,3-dicarboxylate
CID 23452882
methyl 3-cyano-5-hydroxy-2-sulfanylbenzoate
CID 130838370
dodecamethyl tridecacyclo[22.6.6.64,11.614,21.02,23.03,12.05,10.013,22.015,20.025,30.031,36.037,42.043,48]octatetraconta-2,5,7,9,12,15,17,19,22,25,27,29,31,33,35,37,39,41,43,45,47-henicosaene-7,8,17,18,27,28,33,34,39,40,45,46-dodecacarboxylate
CID 71659778
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 143278499
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 3-[(3-aminocyclobutyl)amino]-4-chlorobenzoate
CID 80559754

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate (CID 166125485) is methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1cc(O)cc2c1CC(N)C2.
What is the InChIKey of methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is VQFQKNOUSOFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)10-5-8(13)3-6-2-7(12)4-9(6)10/h3,5,7,13H,2,4,12H2,1H3.
What are the key properties of methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 166125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).