2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid

C13H13N3O3 — CID 82547405

IUPAC2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
SMILESNc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C13H13N3O3/c14-9-2-4-11-8(5-9)1-3-10(16-11)6-12(17)15-7-13(18)19/h1-5H,6-7,14H2,(H,15,17)(H,18,19)
InChIKeyHNQXNOLCNROWIH-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.56
Rot. Bonds4

About 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid

2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid (PubChem CID 82547405) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
PubChem CID82547405
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
SMILESNc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C13H13N3O3/c14-9-2-4-11-8(5-9)1-3-10(16-11)6-12(17)15-7-13(18)19/h1-5H,6-7,14H2,(H,15,17)(H,18,19)
InChIKeyHNQXNOLCNROWIH-UHFFFAOYSA-N
XLogP0.56
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
CID 110490348
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 82547456
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
2-(6-aminoquinolin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 82547311
2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 82546933
2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 82547221
2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110451369
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
N-(2-hydroxyethyl)-2-(6-methylquinolin-2-yl)acetamide
CID 110490351

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid (CID 82547405) is 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid is Nc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1.
What is the InChIKey of 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid?
The InChIKey is HNQXNOLCNROWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-9-2-4-11-8(5-9)1-3-10(16-11)6-12(17)15-7-13(18)19/h1-5H,6-7,14H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid?
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).