2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid

C13H17N3O3 — CID 115240765

IUPAC2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)CC(N)C(=O)O
InChIInChI=1S/C13H17N3O3/c1-16(7-10(14)13(18)19)6-8-2-3-11-9(4-8)5-12(17)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyJYLBBVLXGCCBHX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.02
Rot. Bonds5

About 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid

2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid (PubChem CID 115240765) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
PubChem CID115240765
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)CC(N)C(=O)O
InChIInChI=1S/C13H17N3O3/c1-16(7-10(14)13(18)19)6-8-2-3-11-9(4-8)5-12(17)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyJYLBBVLXGCCBHX-UHFFFAOYSA-N
XLogP0.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]carbamoyl chloride
CID 115195045
2-hydroxy-N-methyl-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 115140167

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid (CID 115240765) is 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid is CN(Cc1ccc2c(c1)CC(=O)N2)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
The InChIKey is JYLBBVLXGCCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(7-10(14)13(18)19)6-8-2-3-11-9(4-8)5-12(17)15-11/h2-4,10H,5-7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid?
2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 115240765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).