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

C19H24N4O7 — CID 73256553

IUPAC2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
SMILESCCC(C)C(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C19H24N4O7/c1-3-10(2)16(17(27)21-12(18(28)29)8-15(25)26)22-19(30)23-9-14(24)20-11-6-4-5-7-13(11)23/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,20,24)(H,21,27)(H,22,30)(H,25,26)(H,28,29)
InChIKeyLOLZNFODNBWLRJ-UHFFFAOYSA-N
MW420.42 g/mol
LogP0.61
Rot. Bonds8

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

2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid (PubChem CID 73256553) has the molecular formula C19H24N4O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
PubChem CID73256553
Molecular FormulaC19H24N4O7
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Name2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
SMILESCCC(C)C(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C19H24N4O7/c1-3-10(2)16(17(27)21-12(18(28)29)8-15(25)26)22-19(30)23-9-14(24)20-11-6-4-5-7-13(11)23/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,20,24)(H,21,27)(H,22,30)(H,25,26)(H,28,29)
InChIKeyLOLZNFODNBWLRJ-UHFFFAOYSA-N
XLogP0.61
TPSA165.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic 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

(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]pentanoic acid
CID 7097374
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
3-methyl-2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanoic acid
CID 73256497
(2R)-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoate
CID 7097411
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
CID 7647437
2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]acetate
CID 7097593
(2R)-1-[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 7097372
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
(2S)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoate
CID 7097375
(2R)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoate
CID 7097345
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid?
The IUPAC name of 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid (CID 73256553) is 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid?
The canonical SMILES for 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid is CCC(C)C(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid?
The InChIKey is LOLZNFODNBWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O7/c1-3-10(2)16(17(27)21-12(18(28)29)8-15(25)26)22-19(30)23-9-14(24)20-11-6-4-5-7-13(11)23/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,20,24)(H,21,27)(H,22,30)(H,25,26)(H,28,29).
What are the key properties of 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid?
2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid has a molecular weight of 420.42 g/mol, XLogP of 0.61, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid is sourced from PubChem (CID 73256553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).