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

C16H20N2O3 — CID 43630780

IUPAC2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-6-14(16(20)21)18-15(19)9-12-10(2)17-13-8-5-4-7-11(12)13/h4-5,7-8,14,17H,3,6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUTFPLIWGWBJWGA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.39
Rot. Bonds6

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

2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 43630780) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
PubChem CID43630780
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-6-14(16(20)21)18-15(19)9-12-10(2)17-13-8-5-4-7-11(12)13/h4-5,7-8,14,17H,3,6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUTFPLIWGWBJWGA-UHFFFAOYSA-N
XLogP2.39
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.39
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

(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
(2S)-2-(methylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid
CID 67628327
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119192323
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 51935996
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69319086

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid (CID 43630780) is 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is UTFPLIWGWBJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-6-14(16(20)21)18-15(19)9-12-10(2)17-13-8-5-4-7-11(12)13/h4-5,7-8,14,17H,3,6,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid?
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).