(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate

C15H18N3O4- — CID 7647437

IUPAC(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-3-9(2)13(14(20)21)17-15(22)18-8-12(19)16-10-6-4-5-7-11(10)18/h4-7,9,13H,3,8H2,1-2H3,(H,16,19)(H,17,22)(H,20,21)/p-1/t9-,13-/m0/s1
InChIKeyNNAVQIWUUVVGGV-ZANVPECISA-M
MW304.33 g/mol
LogP0.32
Rot. Bonds4

About (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate

(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate (PubChem CID 7647437) has the molecular formula C15H18N3O4- and a molecular weight of 304.33 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
PubChem CID7647437
Molecular FormulaC15H18N3O4-
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]
InChIInChI=1S/C15H19N3O4/c1-3-9(2)13(14(20)21)17-15(22)18-8-12(19)16-10-6-4-5-7-11(10)18/h4-7,9,13H,3,8H2,1-2H3,(H,16,19)(H,17,22)(H,20,21)/p-1/t9-,13-/m0/s1
InChIKeyNNAVQIWUUVVGGV-ZANVPECISA-M
XLogP0.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate with MolForge

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Related Compounds

(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
(2R)-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoate
CID 7097411
2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]acetate
CID 7097593
3-methyl-2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanoic acid
CID 73256497
2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
CID 73256553
(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]pentanoic acid
CID 7097374
(2R)-1-[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 7097372
(2R)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoate
CID 7097345
(2S)-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]propanoate
CID 7097375
(2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate
CID 7659896
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate?
The IUPAC name of (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate (CID 7647437) is (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate?
The canonical SMILES for (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate is CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-].
What is the InChIKey of (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate?
The InChIKey is NNAVQIWUUVVGGV-ZANVPECISA-M. The full InChI is InChI=1S/C15H19N3O4/c1-3-9(2)13(14(20)21)17-15(22)18-8-12(19)16-10-6-4-5-7-11(10)18/h4-7,9,13H,3,8H2,1-2H3,(H,16,19)(H,17,22)(H,20,21)/p-1/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate?
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate has a molecular weight of 304.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate is sourced from PubChem (CID 7647437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).