2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide

C12H13N3O2 — CID 18385421

IUPAC2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
SMILESCn1cc(C(=O)C(N)C(N)=O)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-15-6-8(11(16)10(13)12(14)17)7-4-2-3-5-9(7)15/h2-6,10H,13H2,1H3,(H2,14,17)
InChIKeyYMZFQKNFNRPHLE-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.17
Rot. Bonds3

About 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide

2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide (PubChem CID 18385421) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide.

Molecular Properties

Compound Name2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
PubChem CID18385421
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
SMILESCn1cc(C(=O)C(N)C(N)=O)c2ccccc21
InChIInChI=1S/C12H13N3O2/c1-15-6-8(11(16)10(13)12(14)17)7-4-2-3-5-9(7)15/h2-6,10H,13H2,1H3,(H2,14,17)
InChIKeyYMZFQKNFNRPHLE-UHFFFAOYSA-N
XLogP0.17
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
1-methylindole-3-carbothioic S-acid
CID 116918837
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
chloro 1-methylindole-3-carboxylate
CID 69132264
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
N-ethyl-1-methylindole-3-carboxamide
CID 25348690

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide?
The IUPAC name of 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide (CID 18385421) is 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide.
What is the SMILES notation for 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide?
The canonical SMILES for 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide is Cn1cc(C(=O)C(N)C(N)=O)c2ccccc21.
What is the InChIKey of 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide?
The InChIKey is YMZFQKNFNRPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-6-8(11(16)10(13)12(14)17)7-4-2-3-5-9(7)15/h2-6,10H,13H2,1H3,(H2,14,17).
What are the key properties of 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide?
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide has a molecular weight of 231.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide is sourced from PubChem (CID 18385421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).