ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate

C13H17NO2 — CID 178197600

IUPACethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2ccc(C)cc2[C@H]1N
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9-5-4-8(2)6-10(9)12(11)14/h4-6,11-12H,3,7,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyZUOCZTVUXWSCBI-NWDGAFQWSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds2

About ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate

ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 178197600) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID178197600
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2ccc(C)cc2[C@H]1N
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9-5-4-8(2)6-10(9)12(11)14/h4-6,11-12H,3,7,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyZUOCZTVUXWSCBI-NWDGAFQWSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
(1R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130738908
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 99866901
ethyl (2R,3R)-3-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylate;2,2,2-trifluoroacetic acid
CID 86605148
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
methyl 1-amino-5-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 115032558
diethyl (2S,3R,4R)-4-ethyl-4-methyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
CID 10495794
ethyl (2S)-3-[3-(5-methyl-2,3-dihydro-1H-inden-2-yl)propanoyl]-1-sulfanylpyrrolidine-2-carboxylate
CID 57296362

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate (CID 178197600) is ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)[C@H]1Cc2ccc(C)cc2[C@H]1N.
What is the InChIKey of ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is ZUOCZTVUXWSCBI-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9-5-4-8(2)6-10(9)12(11)14/h4-6,11-12H,3,7,14H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate?
ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2S)-1-amino-6-methyl-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 178197600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).