2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C15H20N2O4 — CID 40777845

IUPAC2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H20N2O4/c16-8-12-15(20)14(19)11(21-12)7-13(18)17-6-5-9-3-1-2-4-10(9)17/h1-4,11-12,14-15,19-20H,5-8,16H2/t11-,12+,14-,15+/m0/s1
InChIKeyWLEPTOOCJPQSCK-MYZSUADSSA-N
MW292.33 g/mol
LogP-0.59
Rot. Bonds3

About 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 40777845) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID40777845
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H20N2O4/c16-8-12-15(20)14(19)11(21-12)7-13(18)17-6-5-9-3-1-2-4-10(9)17/h1-4,11-12,14-15,19-20H,5-8,16H2/t11-,12+,14-,15+/m0/s1
InChIKeyWLEPTOOCJPQSCK-MYZSUADSSA-N
XLogP-0.59
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2S,3S,4R,5S)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-phenylurea
CID 162805097
1-[[(2S,3S,4R,5S)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 162804970
1-cyclohexyl-3-[[(2R,3S,4R,5R)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]urea
CID 163038726
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]oxolane-2-carboxamide
CID 120791668
1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110857015
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 40777845) is 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone is NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WLEPTOOCJPQSCK-MYZSUADSSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-8-12-15(20)14(19)11(21-12)7-13(18)17-6-5-9-3-1-2-4-10(9)17/h1-4,11-12,14-15,19-20H,5-8,16H2/t11-,12+,14-,15+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 292.33 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 40777845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).