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

C14H18N2O2 — CID 135375085

IUPAC2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
SMILESCCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-3-9(12(15)14(17)18)11-7-16-13-8(2)5-4-6-10(11)13/h4-7,9,12,16H,3,15H2,1-2H3,(H,17,18)
InChIKeyMAHJHLGJBOSOGZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.38
Rot. Bonds4

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

2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid (PubChem CID 135375085) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
PubChem CID135375085
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
SMILESCCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-3-9(12(15)14(17)18)11-7-16-13-8(2)5-4-6-10(11)13/h4-7,9,12,16H,3,15H2,1-2H3,(H,17,18)
InChIKeyMAHJHLGJBOSOGZ-UHFFFAOYSA-N
XLogP2.38
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
CID 135374820
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
(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
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-methyl-2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119211734
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one
CID 71612855
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid
CID 175346965

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid?
The IUPAC name of 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid (CID 135375085) is 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid is CCC(c1c[nH]c2c(C)cccc12)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid?
The InChIKey is MAHJHLGJBOSOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9(12(15)14(17)18)11-7-16-13-8(2)5-4-6-10(11)13/h4-7,9,12,16H,3,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid?
2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.38, 4 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)pentanoic acid is sourced from PubChem (CID 135375085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).