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

C20H26N4O5 — CID 11876987

IUPAC(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C20H26N4O5/c1-12(2)10-14(18(26)23-9-5-8-16(23)19(27)28)22-20(29)24-11-17(25)21-13-6-3-4-7-15(13)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25)(H,22,29)(H,27,28)/t14-,16-/m0/s1
InChIKeyABGLMHPLWOWSIG-HOCLYGCPSA-N
MW402.45 g/mol
LogP1.64
Rot. Bonds5

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

(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 11876987) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID11876987
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C20H26N4O5/c1-12(2)10-14(18(26)23-9-5-8-16(23)19(27)28)22-20(29)24-11-17(25)21-13-6-3-4-7-15(13)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25)(H,22,29)(H,27,28)/t14-,16-/m0/s1
InChIKeyABGLMHPLWOWSIG-HOCLYGCPSA-N
XLogP1.64
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]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 (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid (CID 11876987) is (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid is CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ABGLMHPLWOWSIG-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-12(2)10-14(18(26)23-9-5-8-16(23)19(27)28)22-20(29)24-11-17(25)21-13-6-3-4-7-15(13)24/h3-4,6-7,12,14,16H,5,8-11H2,1-2H3,(H,21,25)(H,22,29)(H,27,28)/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 402.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11876987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).