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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Related Compounds

2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115072913
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072908
2-amino-2-[1,2-dimethyl-7-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073090
3-bromo-1,4-dimethylindole-2-carboxylic acid
CID 115049841
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
2-amino-2-(2,7-dimethyl-1-benzothiophen-3-yl)acetic acid
CID 115073121
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
2-amino-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83882240
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705

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).