2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid

C15H19N3O3 — CID 63066089

IUPAC2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-18(9-14(19)20)8-13-15(21)17-12-6-4-3-5-11(12)16-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQXMCAUYYAYWBTR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid

2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid (PubChem CID 63066089) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
PubChem CID63066089
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-18(9-14(19)20)8-13-15(21)17-12-6-4-3-5-11(12)16-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQXMCAUYYAYWBTR-UHFFFAOYSA-N
XLogP1.47
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
CID 62027268
2-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid
CID 43352484
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-quinoxalin-2-one
CID 103864994
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
3-(4-hydroxybutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66135922
3-(2-ethoxyphenyl)-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]-1-(1-phenylethyl)urea
CID 68865812

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid (CID 63066089) is 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid is CC(C)CN(CC(=O)O)Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid?
The InChIKey is QXMCAUYYAYWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)7-18(9-14(19)20)8-13-15(21)17-12-6-4-3-5-11(12)16-13/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid?
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 63066089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).