4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid

C18H25N3O4 — CID 44667350

IUPAC4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N1c2ccccc2NC(=O)C1C(C)C)C(=O)O
InChIInChI=1S/C18H25N3O4/c1-10(2)9-13(17(23)24)20-18(25)21-14-8-6-5-7-12(14)19-16(22)15(21)11(3)4/h5-8,10-11,13,15H,9H2,1-4H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyWDHILXRWGHJHIY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.68
Rot. Bonds5

About 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid

4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid (PubChem CID 44667350) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
PubChem CID44667350
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N1c2ccccc2NC(=O)C1C(C)C)C(=O)O
InChIInChI=1S/C18H25N3O4/c1-10(2)9-13(17(23)24)20-18(25)21-14-8-6-5-7-12(14)19-16(22)15(21)11(3)4/h5-8,10-11,13,15H,9H2,1-4H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyWDHILXRWGHJHIY-UHFFFAOYSA-N
XLogP2.68
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

2-[[4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 44667939
(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 27506430
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
(2S)-2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 40957853
(2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]propanoic acid
CID 27506828
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]pentanoic acid
CID 7097374
2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 170319910
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
CID 170319947
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid (CID 44667350) is 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)N1c2ccccc2NC(=O)C1C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid?
The InChIKey is WDHILXRWGHJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-10(2)9-13(17(23)24)20-18(25)21-14-8-6-5-7-12(14)19-16(22)15(21)11(3)4/h5-8,10-11,13,15H,9H2,1-4H3,(H,19,22)(H,20,25)(H,23,24).
What are the key properties of 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid?
4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid has a molecular weight of 347.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 44667350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).