(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid

C13H19N3O6 — CID 123544250

IUPAC(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N1C(=O)CCC(=O)[C@]1(C)C(=O)O
InChIInChI=1S/C13H19N3O6/c1-6(14)10(19)15-7(2)11(20)16-9(18)5-4-8(17)13(16,3)12(21)22/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,21,22)/t6-,7-,13+/m0/s1
InChIKeyPPLUFJXKSAPRHP-AXFKMTHZSA-N
MW313.31 g/mol
LogP-1.60
Rot. Bonds4

About (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid

(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid (PubChem CID 123544250) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid
PubChem CID123544250
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N1C(=O)CCC(=O)[C@]1(C)C(=O)O
InChIInChI=1S/C13H19N3O6/c1-6(14)10(19)15-7(2)11(20)16-9(18)5-4-8(17)13(16,3)12(21)22/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,21,22)/t6-,7-,13+/m0/s1
InChIKeyPPLUFJXKSAPRHP-AXFKMTHZSA-N
XLogP-1.60
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid 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 (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid (CID 123544250) is (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid is C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C(=O)CCC(=O)[C@]1(C)C(=O)O.
What is the InChIKey of (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid?
The InChIKey is PPLUFJXKSAPRHP-AXFKMTHZSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-6(14)10(19)15-7(2)11(20)16-9(18)5-4-8(17)13(16,3)12(21)22/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,21,22)/t6-,7-,13+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid?
(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2-methyl-3,6-dioxopiperidine-2-carboxylic acid is sourced from PubChem (CID 123544250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).