2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid

C13H17N3O4 — CID 66166560

IUPAC2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)NCC(O)C(=O)O)c2ccccc21
InChIInChI=1S/C13H17N3O4/c1-15-6-7-16(10-5-3-2-4-9(10)15)13(20)14-8-11(17)12(18)19/h2-5,11,17H,6-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyKJXPBZNIJWZWDN-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.10
Rot. Bonds3

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

2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid (PubChem CID 66166560) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
PubChem CID66166560
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)NCC(O)C(=O)O)c2ccccc21
InChIInChI=1S/C13H17N3O4/c1-15-6-7-16(10-5-3-2-4-9(10)15)13(20)14-8-11(17)12(18)19/h2-5,11,17H,6-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyKJXPBZNIJWZWDN-UHFFFAOYSA-N
XLogP0.10
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 116656087
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
N-(2-fluorophenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382953
2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 63779129
1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
CID 91911956
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid (CID 66166560) is 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid is CN1CCN(C(=O)NCC(O)C(=O)O)c2ccccc21.
What is the InChIKey of 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The InChIKey is KJXPBZNIJWZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15-6-7-16(10-5-3-2-4-9(10)15)13(20)14-8-11(17)12(18)19/h2-5,11,17H,6-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66166560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).