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

C14H14N2O3 — CID 110490348

IUPAC2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
SMILESCc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C14H14N2O3/c1-9-2-5-12-10(6-9)3-4-11(16-12)7-13(17)15-8-14(18)19/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIWMGDFRZAXDUQQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.29
Rot. Bonds4

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

2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid (PubChem CID 110490348) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
PubChem CID110490348
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
SMILESCc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C14H14N2O3/c1-9-2-5-12-10(6-9)3-4-11(16-12)7-13(17)15-8-14(18)19/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyIWMGDFRZAXDUQQ-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(6-methylquinolin-2-yl)acetamide
CID 110490351
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
3-(6-methylquinolin-2-yl)-N-propan-2-ylpropanamide
CID 110486582
2-(iodomethyl)-6-methylquinoline
CID 138975713
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
CID 110490371
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 82547456
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
6-methyl-2-(nitromethyl)quinoline
CID 119082068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid (CID 110490348) is 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid is Cc1ccc2nc(CC(=O)NCC(=O)O)ccc2c1.
What is the InChIKey of 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid?
The InChIKey is IWMGDFRZAXDUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-2-5-12-10(6-9)3-4-11(16-12)7-13(17)15-8-14(18)19/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid?
2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).