2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid

C16H20N2O3 — CID 119205068

IUPAC2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1c[nH]c2c(C)cccc12
InChIInChI=1S/C16H20N2O3/c1-3-7-18(10-15(20)21)14(19)8-12-9-17-16-11(2)5-4-6-13(12)16/h4-6,9,17H,3,7-8,10H2,1-2H3,(H,20,21)
InChIKeyFNZGKDCDTDDYIM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds6

About 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid

2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid (PubChem CID 119205068) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
PubChem CID119205068
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1c[nH]c2c(C)cccc12
InChIInChI=1S/C16H20N2O3/c1-3-7-18(10-15(20)21)14(19)8-12-9-17-16-11(2)5-4-6-13(12)16/h4-6,9,17H,3,7-8,10H2,1-2H3,(H,20,21)
InChIKeyFNZGKDCDTDDYIM-UHFFFAOYSA-N
XLogP2.34
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873
3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190241
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110853744
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid (CID 119205068) is 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1c[nH]c2c(C)cccc12.
What is the InChIKey of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid?
The InChIKey is FNZGKDCDTDDYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-7-18(10-15(20)21)14(19)8-12-9-17-16-11(2)5-4-6-13(12)16/h4-6,9,17H,3,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid?
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 119205068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).