2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid

C15H20N2O2 — CID 135374820

IUPAC2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
SMILESCCCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-3-5-10(13(16)15(18)19)12-8-17-14-9(2)6-4-7-11(12)14/h4,6-8,10,13,17H,3,5,16H2,1-2H3,(H,18,19)
InChIKeyXYXIKODXYRBGOX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid

2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid (PubChem CID 135374820) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
PubChem CID135374820
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
SMILESCCCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-3-5-10(13(16)15(18)19)12-8-17-14-9(2)6-4-7-11(12)14/h4,6-8,10,13,17H,3,5,16H2,1-2H3,(H,18,19)
InChIKeyXYXIKODXYRBGOX-UHFFFAOYSA-N
XLogP2.77
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
CID 135375085
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
(2S)-2-amino-3-(4-fluoro-1H-indol-3-yl)hexanoic acid
CID 140944841
(2S,3S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944842
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821
4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
CID 76846681
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)hexanoic acid
CID 140944818
2-amino-3-(3-methylphenyl)hexanoic acid
CID 69403442
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid?
The IUPAC name of 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid (CID 135374820) is 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid.
What is the SMILES notation for 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid?
The canonical SMILES for 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid is CCCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid?
The InChIKey is XYXIKODXYRBGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-10(13(16)15(18)19)12-8-17-14-9(2)6-4-7-11(12)14/h4,6-8,10,13,17H,3,5,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid?
2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid is sourced from PubChem (CID 135374820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).