2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid

C11H16N2O2 — CID 84780235

IUPAC2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2c(c1C(N)C(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-6-9(10(12)11(14)15)7-4-2-3-5-8(7)13-6/h10,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyJCDKJMRWSXHIOB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid

2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid (PubChem CID 84780235) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid
PubChem CID84780235
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2c(c1C(N)C(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-6-9(10(12)11(14)15)7-4-2-3-5-8(7)13-6/h10,13H,2-5,12H2,1H3,(H,14,15)
InChIKeyJCDKJMRWSXHIOB-UHFFFAOYSA-N
XLogP1.29
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid (CID 84780235) is 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid is Cc1[nH]c2c(c1C(N)C(=O)O)CCCC2.
What is the InChIKey of 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid?
The InChIKey is JCDKJMRWSXHIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-9(10(12)11(14)15)7-4-2-3-5-8(7)13-6/h10,13H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid?
2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 84780235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).