(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid

C13H16N2O3 — CID 83194966

IUPAC(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)N1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9(13(17)18)14-8-12(16)15-7-6-10-4-2-3-5-11(10)15/h2-5,9,14H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyMGMMQUVCOZUBOL-SECBINFHSA-N
MW248.28 g/mol
LogP0.64
Rot. Bonds4

About (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid

(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194966) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID83194966
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)N1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9(13(17)18)14-8-12(16)15-7-6-10-4-2-3-5-11(10)15/h2-5,9,14H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyMGMMQUVCOZUBOL-SECBINFHSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
CID 9439923
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid (CID 83194966) is (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid is C[C@@H](NCC(=O)N1CCc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is MGMMQUVCOZUBOL-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(13(17)18)14-8-12(16)15-7-6-10-4-2-3-5-11(10)15/h2-5,9,14H,6-8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).