2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid

C15H19N3O2 — CID 79269083

IUPAC2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid
SMILESCc1nc2ccccc2nc1N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-10-14(18(9-13(19)20)15(2,3)4)17-12-8-6-5-7-11(12)16-10/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyOEFLGVBMHUVPGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.63
Rot. Bonds3

About 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid

2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid (PubChem CID 79269083) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid
PubChem CID79269083
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid
SMILESCc1nc2ccccc2nc1N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-10-14(18(9-13(19)20)15(2,3)4)17-12-8-6-5-7-11(12)16-10/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyOEFLGVBMHUVPGH-UHFFFAOYSA-N
XLogP2.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
2-[[3-(2-Hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
CID 2728525
Cambridge id 5745286
CID 767246
N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide
CID 3279769
(2-Ethyl-1H-benzimidazol-1-yl)acetic acid
CID 594601
(2-methyl-1H-benzimidazol-1-yl)acetic acid
CID 719681
2-Methyl-3-(morpholin-4-yl)quinoxaline
CID 239319
2-{[3-(Piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetic acid
CID 15988348
2-Methyl-3-(piperidin-1-yl)quinoxaline
CID 238491
(2-Propyl-1H-benzimidazol-1-yl)acetic acid
CID 605493
2-Methyl-3-(4-methylpiperidin-1-yl)quinoxaline
CID 869793

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid (CID 79269083) is 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid is Cc1nc2ccccc2nc1N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid?
The InChIKey is OEFLGVBMHUVPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(18(9-13(19)20)15(2,3)4)17-12-8-6-5-7-11(12)16-10/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid?
2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid has a molecular weight of 273.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid is sourced from PubChem (CID 79269083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).