4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid

C14H17N3O2 — CID 62374872

IUPAC4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid
SMILESCc1nc2ccccc2nc1N(C)CCCC(=O)O
InChIInChI=1S/C14H17N3O2/c1-10-14(17(2)9-5-8-13(18)19)16-12-7-4-3-6-11(12)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyCTYJGDVAWPBPNZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds5

About 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid

4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid (PubChem CID 62374872) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid
PubChem CID62374872
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid
SMILESCc1nc2ccccc2nc1N(C)CCCC(=O)O
InChIInChI=1S/C14H17N3O2/c1-10-14(17(2)9-5-8-13(18)19)16-12-7-4-3-6-11(12)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyCTYJGDVAWPBPNZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid (CID 62374872) is 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid is Cc1nc2ccccc2nc1N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid?
The InChIKey is CTYJGDVAWPBPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-14(17(2)9-5-8-13(18)19)16-12-7-4-3-6-11(12)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid?
4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methylquinoxalin-2-yl)amino]butanoic acid is sourced from PubChem (CID 62374872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).