2-amino-2-(2-methyl-1H-indol-3-yl)acetamide

C11H13N3O — CID 116850760

IUPAC2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(N)C(N)=O
InChIInChI=1S/C11H13N3O/c1-6-9(10(12)11(13)15)7-4-2-3-5-8(7)14-6/h2-5,10,14H,12H2,1H3,(H2,13,15)
InChIKeyBICJKYFKNTUKDQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.96
Rot. Bonds2

About 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide

2-amino-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 116850760) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID116850760
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(N)C(N)=O
InChIInChI=1S/C11H13N3O/c1-6-9(10(12)11(13)15)7-4-2-3-5-8(7)14-6/h2-5,10,14H,12H2,1H3,(H2,13,15)
InChIKeyBICJKYFKNTUKDQ-UHFFFAOYSA-N
XLogP0.96
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116914751
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)hexanoic acid
CID 140944818
1-[amino-(2-methyl-1H-indol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944083
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide (CID 116850760) is 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1C(N)C(N)=O.
What is the InChIKey of 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is BICJKYFKNTUKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-9(10(12)11(13)15)7-4-2-3-5-8(7)14-6/h2-5,10,14H,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-2-(2-methyl-1H-indol-3-yl)acetamide?
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 203.25 g/mol, XLogP of 0.96, 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-1H-indol-3-yl)acetamide is sourced from PubChem (CID 116850760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).