3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid

C15H17N3O3 — CID 62849526

IUPAC3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-10(2)18(8-5-14(19)20)15(21)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20)
InChIKeyYUJUQAOSFCZJOU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.96
Rot. Bonds5

About 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid

3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid (PubChem CID 62849526) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
PubChem CID62849526
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-10(2)18(8-5-14(19)20)15(21)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20)
InChIKeyYUJUQAOSFCZJOU-UHFFFAOYSA-N
XLogP1.96
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
4-[2H-benzotriazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60825852
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
3-[(3-iodo-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119207059
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
CID 82012991
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119207158
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
3-[[3-(benzenesulfonamido)benzoyl]-propan-2-ylamino]propanoic acid
CID 119206826
3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propan-2-ylamino]propanoic acid
CID 119207680

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid (CID 62849526) is 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid?
The InChIKey is YUJUQAOSFCZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(2)18(8-5-14(19)20)15(21)11-3-4-12-13(9-11)17-7-6-16-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid?
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62849526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).