2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid

C18H25N3O3 — CID 128974987

IUPAC2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(C)(NCC(=O)O)C1
InChIInChI=1S/C18H25N3O3/c1-13-9-14-5-3-4-6-15(14)21(13)16(22)11-20-8-7-18(2,12-20)19-10-17(23)24/h3-6,13,19H,7-12H2,1-2H3,(H,23,24)
InChIKeyBZCVYZXIZBRJKI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.10
Rot. Bonds5

About 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid

2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid (PubChem CID 128974987) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
PubChem CID128974987
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(C)(NCC(=O)O)C1
InChIInChI=1S/C18H25N3O3/c1-13-9-14-5-3-4-6-15(14)21(13)16(22)11-20-8-7-18(2,12-20)19-10-17(23)24/h3-6,13,19H,7-12H2,1-2H3,(H,23,24)
InChIKeyBZCVYZXIZBRJKI-UHFFFAOYSA-N
XLogP1.10
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid with MolForge

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 120771508
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
(3aS,6aR)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680290
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
2-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;2-hydroxy-2-oxoacetate
CID 44665836
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid (CID 128974987) is 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid is CC1Cc2ccccc2N1C(=O)CN1CCC(C)(NCC(=O)O)C1.
What is the InChIKey of 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is BZCVYZXIZBRJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-9-14-5-3-4-6-15(14)21(13)16(22)11-20-8-7-18(2,12-20)19-10-17(23)24/h3-6,13,19H,7-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid?
2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 331.42 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 128974987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).