2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid

C12H12N2O3 — CID 117099443

IUPAC2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C12H12N2O3/c1-14(7-12(16)17)9-3-4-10-8(6-9)2-5-11(15)13-10/h2-6H,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyNRZJBBJSIVRYIX-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.05
Rot. Bonds3

About 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid

2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid (PubChem CID 117099443) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
PubChem CID117099443
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C12H12N2O3/c1-14(7-12(16)17)9-3-4-10-8(6-9)2-5-11(15)13-10/h2-6H,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyNRZJBBJSIVRYIX-UHFFFAOYSA-N
XLogP1.05
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-indazol-5-yl(methyl)amino]acetic acid
CID 83819829
6-[2-(dimethylamino)ethyl]-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 175881148
2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
CID 117099724
3-[6-[carboxymethyl(methyl)amino]-1-oxoisoquinolin-2-yl]propanoic acid
CID 117099846
2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide
CID 58811210
acetic acid;1H-quinolin-2-one
CID 71436806
2-aminoacetic acid;1H-quinolin-2-one
CID 159271091
2-[(2-butyl-1-oxoisoquinolin-6-yl)-methylamino]acetic acid
CID 117099839
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-(4-carbamoyl-3-chloro-N-methylanilino)acetic acid
CID 62944660
6-[(E)-but-2-enyl]-1H-quinolin-2-one
CID 119094880

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid (CID 117099443) is 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid is CN(CC(=O)O)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid?
The InChIKey is NRZJBBJSIVRYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14(7-12(16)17)9-3-4-10-8(6-9)2-5-11(15)13-10/h2-6H,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid?
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid is sourced from PubChem (CID 117099443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).