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

C12H15NO3 — CID 166125578

IUPACethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1c2cccc(O)c2CC1N
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-7-4-3-5-10(14)8(7)6-9(11)13/h3-5,9,11,14H,2,6,13H2,1H3
InChIKeyAIKPGWNHSWHMDF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.92
Rot. Bonds2

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

ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 166125578) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID166125578
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1c2cccc(O)c2CC1N
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-7-4-3-5-10(14)8(7)6-9(11)13/h3-5,9,11,14H,2,6,13H2,1H3
InChIKeyAIKPGWNHSWHMDF-UHFFFAOYSA-N
XLogP0.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
CID 95241574
ethyl 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 166125977
ethyl 2-hydroxy-6-naphthalen-1-yl-4-oxocyclohex-2-ene-1-carboxylate
CID 10267389
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
ethyl 4-(2-hydroxyphenyl)-6-naphthalen-1-yl-2-oxocyclohex-3-ene-1-carboxylate
CID 150005395
ethyl (2S,5R)-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate
CID 10776114
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl (1R,6S)-3-(1,2-benzoxazol-3-yl)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 136745932
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
CID 90118005
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate (CID 166125578) is ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate is CCOC(=O)C1c2cccc(O)c2CC1N.
What is the InChIKey of ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is AIKPGWNHSWHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)11-7-4-3-5-10(14)8(7)6-9(11)13/h3-5,9,11,14H,2,6,13H2,1H3.
What are the key properties of ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 166125578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).