2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid

C11H12N2O2 — CID 82396670

IUPAC2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
SMILESCc1cccc2[nH]cc(C(N)C(=O)O)c12
InChIInChI=1S/C11H12N2O2/c1-6-3-2-4-8-9(6)7(5-13-8)10(12)11(14)15/h2-5,10,13H,12H2,1H3,(H,14,15)
InChIKeyAXXSMFQAPZAFQL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid

2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid (PubChem CID 82396670) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
PubChem CID82396670
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
SMILESCc1cccc2[nH]cc(C(N)C(=O)O)c12
InChIInChI=1S/C11H12N2O2/c1-6-3-2-4-8-9(6)7(5-13-8)10(12)11(14)15/h2-5,10,13H,12H2,1H3,(H,14,15)
InChIKeyAXXSMFQAPZAFQL-UHFFFAOYSA-N
XLogP1.56
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
(2S,3S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944842
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
CID 83903017
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
CID 171867517
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid (CID 82396670) is 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid is Cc1cccc2[nH]cc(C(N)C(=O)O)c12.
What is the InChIKey of 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is AXXSMFQAPZAFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-2-4-8-9(6)7(5-13-8)10(12)11(14)15/h2-5,10,13H,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid?
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 82396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).