2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid

C17H21N3O5 — CID 67149616

IUPAC2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid
SMILESCC(CNC(=O)c1nc2ccccc2[nH]c1=O)OCCC(C)C(=O)O
InChIInChI=1S/C17H21N3O5/c1-10(17(23)24)7-8-25-11(2)9-18-15(21)14-16(22)20-13-6-4-3-5-12(13)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)
InChIKeyIOFXLTQTPYMCMV-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.17
Rot. Bonds8

About 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid

2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid (PubChem CID 67149616) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid
PubChem CID67149616
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid
SMILESCC(CNC(=O)c1nc2ccccc2[nH]c1=O)OCCC(C)C(=O)O
InChIInChI=1S/C17H21N3O5/c1-10(17(23)24)7-8-25-11(2)9-18-15(21)14-16(22)20-13-6-4-3-5-12(13)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)
InChIKeyIOFXLTQTPYMCMV-UHFFFAOYSA-N
XLogP1.17
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid with MolForge

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Related Compounds

3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
N-[(2R)-2-hydroxypropyl]-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetamide
CID 27209722
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 50952721
2-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid
CID 43352484
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
3-[N-anilino-C-(1,2,3-trihydroxypropyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 3713737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid?
The IUPAC name of 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid (CID 67149616) is 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid.
What is the SMILES notation for 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid?
The canonical SMILES for 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid is CC(CNC(=O)c1nc2ccccc2[nH]c1=O)OCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid?
The InChIKey is IOFXLTQTPYMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(17(23)24)7-8-25-11(2)9-18-15(21)14-16(22)20-13-6-4-3-5-12(13)19-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,21)(H,20,22)(H,23,24).
What are the key properties of 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid?
2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid has a molecular weight of 347.37 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid is sourced from PubChem (CID 67149616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).