(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide

C13H16N4O2 — CID 59877918

IUPAC(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide
SMILESC[C@H](N)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIInChI=1S/C13H16N4O2/c1-8(14)12(18)16-11-10-6-4-3-5-9(10)7-15-17(2)13(11)19/h3-8,11H,14H2,1-2H3,(H,16,18)/t8-,11?/m0/s1
InChIKeyCTJAFIFVLHEGLM-YMNIQAILSA-N
MW260.30 g/mol
LogP-0.00
Rot. Bonds2

About (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide

(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide (PubChem CID 59877918) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide
PubChem CID59877918
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide
SMILESC[C@H](N)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIInChI=1S/C13H16N4O2/c1-8(14)12(18)16-11-10-6-4-3-5-9(10)7-15-17(2)13(11)19/h3-8,11H,14H2,1-2H3,(H,16,18)/t8-,11?/m0/s1
InChIKeyCTJAFIFVLHEGLM-YMNIQAILSA-N
XLogP-0.00
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide (CID 59877918) is (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide is C[C@H](N)C(=O)NC1C(=O)N(C)N=Cc2ccccc21.
What is the InChIKey of (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide?
The InChIKey is CTJAFIFVLHEGLM-YMNIQAILSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(14)12(18)16-11-10-6-4-3-5-9(10)7-15-17(2)13(11)19/h3-8,11H,14H2,1-2H3,(H,16,18)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide?
(2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)propanamide is sourced from PubChem (CID 59877918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).