(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one

C12H16N2O2 — CID 129494804

IUPAC(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cccc2c1CCN2C(=O)[C@H](C)N
InChIInChI=1S/C12H16N2O2/c1-8(13)12(15)14-7-6-9-10(14)4-3-5-11(9)16-2/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1
InChIKeyDVYPPHHKJVGAJY-QMMMGPOBSA-N
MW220.27 g/mol
LogP0.93
Rot. Bonds2

About (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 129494804) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID129494804
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cccc2c1CCN2C(=O)[C@H](C)N
InChIInChI=1S/C12H16N2O2/c1-8(13)12(15)14-7-6-9-10(14)4-3-5-11(9)16-2/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1
InChIKeyDVYPPHHKJVGAJY-QMMMGPOBSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 129496154
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119326470
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(2R)-1-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyrimidin-5-ylpropan-1-one
CID 164636211
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(4-amino-2,3-dihydroindol-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65434753
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one (CID 129494804) is (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one is COc1cccc2c1CCN2C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is DVYPPHHKJVGAJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(13)12(15)14-7-6-9-10(14)4-3-5-11(9)16-2/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 220.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 129494804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).