2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid

C14H16N4O5 — CID 78446048

IUPAC2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N4O5/c1-8(13(21)22)16-11(19)6-15-14(23)18-7-12(20)17-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H,15,23)(H,16,19)(H,17,20)(H,21,22)
InChIKeyQHHWHNPCQJUSLJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.26
Rot. Bonds4

About 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid

2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid (PubChem CID 78446048) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
PubChem CID78446048
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
SMILESCC(NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N4O5/c1-8(13(21)22)16-11(19)6-15-14(23)18-7-12(20)17-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H,15,23)(H,16,19)(H,17,20)(H,21,22)
InChIKeyQHHWHNPCQJUSLJ-UHFFFAOYSA-N
XLogP-0.26
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
CID 7709245
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
(2S)-2-hydroxy-4-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107838228
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 7097050
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
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
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
CID 7647437
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid (CID 78446048) is 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid is CC(NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid?
The InChIKey is QHHWHNPCQJUSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-8(13(21)22)16-11(19)6-15-14(23)18-7-12(20)17-9-4-2-3-5-10(9)18/h2-5,8H,6-7H2,1H3,(H,15,23)(H,16,19)(H,17,20)(H,21,22).
What are the key properties of 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid?
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid has a molecular weight of 320.31 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 78446048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).