2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid

C17H22N2O3 — CID 119192323

IUPAC2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H22N2O3/c1-4-9-17(3,16(21)22)19-15(20)10-13-11(2)18-14-8-6-5-7-12(13)14/h5-8,18H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyLARSOSKIVBTKMS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.78
Rot. Bonds6

About 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 119192323) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
PubChem CID119192323
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H22N2O3/c1-4-9-17(3,16(21)22)19-15(20)10-13-11(2)18-14-8-6-5-7-12(13)14/h5-8,18H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyLARSOSKIVBTKMS-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid (CID 119192323) is 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is LARSOSKIVBTKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-9-17(3,16(21)22)19-15(20)10-13-11(2)18-14-8-6-5-7-12(13)14/h5-8,18H,4,9-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119192323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).