2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid

C13H16N2O2 — CID 115072115

IUPAC2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2cc(C)ccc21
InChIInChI=1S/C13H16N2O2/c1-3-15-10-5-4-8(2)6-9(10)7-11(15)12(14)13(16)17/h4-7,12H,3,14H2,1-2H3,(H,16,17)
InChIKeyVBIFGMYSTNQJTF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid

2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid (PubChem CID 115072115) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
PubChem CID115072115
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2cc(C)ccc21
InChIInChI=1S/C13H16N2O2/c1-3-15-10-5-4-8(2)6-9(10)7-11(15)12(14)13(16)17/h4-7,12H,3,14H2,1-2H3,(H,16,17)
InChIKeyVBIFGMYSTNQJTF-UHFFFAOYSA-N
XLogP2.05
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.05
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-ethyl-5-methylindol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid (CID 115072115) is 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid is CCn1c(C(N)C(=O)O)cc2cc(C)ccc21.
What is the InChIKey of 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid?
The InChIKey is VBIFGMYSTNQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-10-5-4-8(2)6-9(10)7-11(15)12(14)13(16)17/h4-7,12H,3,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid?
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid is sourced from PubChem (CID 115072115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).