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

C11H12N2O2 — CID 82658880

IUPAC2-amino-2-(1-methylindol-2-yl)acetic acid
SMILESCn1c(C(N)C(=O)O)cc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-13-8-5-3-2-4-7(8)6-9(13)10(12)11(14)15/h2-6,10H,12H2,1H3,(H,14,15)
InChIKeyUCOSQCFYFLENKN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.26
Rot. Bonds2

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

2-amino-2-(1-methylindol-2-yl)acetic acid (PubChem CID 82658880) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-2-(1-methylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-methylindol-2-yl)acetic acid
PubChem CID82658880
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-2-(1-methylindol-2-yl)acetic acid
SMILESCn1c(C(N)C(=O)O)cc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-13-8-5-3-2-4-7(8)6-9(13)10(12)11(14)15/h2-6,10H,12H2,1H3,(H,14,15)
InChIKeyUCOSQCFYFLENKN-UHFFFAOYSA-N
XLogP1.26
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
2-amino-2-[1-methyl-4-(trifluoromethyl)indol-2-yl]acetic acid
CID 115071811
2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
CID 54756628
acetic acid;2-ethyl-1-methylindole
CID 70581856
diethyl 2-[1-(1-methylindol-2-yl)-2-(2-methylphenyl)-2-oxoethyl]propanedioate
CID 177492929
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
2-[(1-methylindol-2-yl)methylidene]propanedioic acid
CID 170895345
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
CID 115072472
1-(1-hydroxyindol-2-yl)ethylurea
CID 19846317

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylindol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-methylindol-2-yl)acetic acid (CID 82658880) is 2-amino-2-(1-methylindol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-methylindol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-methylindol-2-yl)acetic acid is Cn1c(C(N)C(=O)O)cc2ccccc21.
What is the InChIKey of 2-amino-2-(1-methylindol-2-yl)acetic acid?
The InChIKey is UCOSQCFYFLENKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-8-5-3-2-4-7(8)6-9(13)10(12)11(14)15/h2-6,10H,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(1-methylindol-2-yl)acetic acid?
2-amino-2-(1-methylindol-2-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.26, 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-methylindol-2-yl)acetic acid is sourced from PubChem (CID 82658880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).