(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

C19H24N4O5 — CID 7097396

IUPAC(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H24N4O5/c1-11(2)16(17(25)22-9-5-8-14(22)18(26)27)21-19(28)23-10-15(24)20-12-6-3-4-7-13(12)23/h3-4,6-7,11,14,16H,5,8-10H2,1-2H3,(H,20,24)(H,21,28)(H,26,27)/t14-,16+/m1/s1
InChIKeyKXLLMZMKIMFEFF-ZBFHGGJFSA-N
MW388.42 g/mol
LogP1.25
Rot. Bonds4

About (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 7097396) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID7097396
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H24N4O5/c1-11(2)16(17(25)22-9-5-8-14(22)18(26)27)21-19(28)23-10-15(24)20-12-6-3-4-7-13(12)23/h3-4,6-7,11,14,16H,5,8-10H2,1-2H3,(H,20,24)(H,21,28)(H,26,27)/t14-,16+/m1/s1
InChIKeyKXLLMZMKIMFEFF-ZBFHGGJFSA-N
XLogP1.25
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-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)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid (CID 7097396) is (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid is CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KXLLMZMKIMFEFF-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11(2)16(17(25)22-9-5-8-14(22)18(26)27)21-19(28)23-10-15(24)20-12-6-3-4-7-13(12)23/h3-4,6-7,11,14,16H,5,8-10H2,1-2H3,(H,20,24)(H,21,28)(H,26,27)/t14-,16+/m1/s1.
What are the key properties of (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7097396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).