2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid

C12H12N2O4 — CID 82480129

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12N2O4/c15-10-4-2-7-5-8(1-3-9(7)14-10)12(18)13-6-11(16)17/h1,3,5H,2,4,6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyVXPGNBBCLZJZKN-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.39
Rot. Bonds3

About 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid

2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid (PubChem CID 82480129) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
PubChem CID82480129
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12N2O4/c15-10-4-2-7-5-8(1-3-9(7)14-10)12(18)13-6-11(16)17/h1,3,5H,2,4,6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyVXPGNBBCLZJZKN-UHFFFAOYSA-N
XLogP0.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46494287
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
N-[(E)-4-aminobut-2-enyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102711711
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119204206
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid (CID 82480129) is 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid?
The InChIKey is VXPGNBBCLZJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-4-2-7-5-8(1-3-9(7)14-10)12(18)13-6-11(16)17/h1,3,5H,2,4,6H2,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid?
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 82480129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).