2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid

C13H16N2O2 — CID 115072838

IUPAC2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
SMILESCc1cccc2c1c(C(N)C(=O)O)c(C)n2C
InChIInChI=1S/C13H16N2O2/c1-7-5-4-6-9-10(7)11(8(2)15(9)3)12(14)13(16)17/h4-6,12H,14H2,1-3H3,(H,16,17)
InChIKeyHNIBAHHJMQLQTL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid

2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid (PubChem CID 115072838) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
PubChem CID115072838
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
SMILESCc1cccc2c1c(C(N)C(=O)O)c(C)n2C
InChIInChI=1S/C13H16N2O2/c1-7-5-4-6-9-10(7)11(8(2)15(9)3)12(14)13(16)17/h4-6,12H,14H2,1-3H3,(H,16,17)
InChIKeyHNIBAHHJMQLQTL-UHFFFAOYSA-N
XLogP1.88
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid (CID 115072838) is 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid is Cc1cccc2c1c(C(N)C(=O)O)c(C)n2C.
What is the InChIKey of 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid?
The InChIKey is HNIBAHHJMQLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-4-6-9-10(7)11(8(2)15(9)3)12(14)13(16)17/h4-6,12H,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid?
2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid is sourced from PubChem (CID 115072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).