3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid

C14H18N2O3 — CID 82102384

IUPAC3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N2O3/c1-16(7-5-14(18)19)9-13(17)11-2-3-12-10(8-11)4-6-15-12/h2-3,8,15H,4-7,9H2,1H3,(H,18,19)
InChIKeyYZBUVSJBZODVFF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds6

About 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid

3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 82102384) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
PubChem CID82102384
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N2O3/c1-16(7-5-14(18)19)9-13(17)11-2-3-12-10(8-11)4-6-15-12/h2-3,8,15H,4-7,9H2,1H3,(H,18,19)
InChIKeyYZBUVSJBZODVFF-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid (CID 82102384) is 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid is CN(CCC(=O)O)CC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is YZBUVSJBZODVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(7-5-14(18)19)9-13(17)11-2-3-12-10(8-11)4-6-15-12/h2-3,8,15H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 82102384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).