(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide

C12H15N3O2 — CID 166893790

IUPAC(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
SMILESCc1ccc2c(c1)C(C[C@H](N)C(N)=O)C(=O)N2
InChIInChI=1S/C12H15N3O2/c1-6-2-3-10-7(4-6)8(12(17)15-10)5-9(13)11(14)16/h2-4,8-9H,5,13H2,1H3,(H2,14,16)(H,15,17)/t8?,9-/m0/s1
InChIKeyPETHICJKHNPPKJ-GKAPJAKFSA-N
MW233.27 g/mol
LogP0.23
Rot. Bonds3

About (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide

(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide (PubChem CID 166893790) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
PubChem CID166893790
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
SMILESCc1ccc2c(c1)C(C[C@H](N)C(N)=O)C(=O)N2
InChIInChI=1S/C12H15N3O2/c1-6-2-3-10-7(4-6)8(12(17)15-10)5-9(13)11(14)16/h2-4,8-9H,5,13H2,1H3,(H2,14,16)(H,15,17)/t8?,9-/m0/s1
InChIKeyPETHICJKHNPPKJ-GKAPJAKFSA-N
XLogP0.23
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 2773346
Amedalin
CID 31075
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
3,3-dimethyl-7-(methylamino)-1H-indol-2-one
CID 156024950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide (CID 166893790) is (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide is Cc1ccc2c(c1)C(C[C@H](N)C(N)=O)C(=O)N2.
What is the InChIKey of (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide?
The InChIKey is PETHICJKHNPPKJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-6-2-3-10-7(4-6)8(12(17)15-10)5-9(13)11(14)16/h2-4,8-9H,5,13H2,1H3,(H2,14,16)(H,15,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide?
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide is sourced from PubChem (CID 166893790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).