2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid

C13H14N2O4 — CID 82485450

IUPAC2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H14N2O4/c16-11(6-14-7-13(18)19)9-1-3-10-8(5-9)2-4-12(17)15-10/h1,3,5,14H,2,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyJKSHSCATEGNOAQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.43
Rot. Bonds5

About 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid

2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid (PubChem CID 82485450) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
PubChem CID82485450
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H14N2O4/c16-11(6-14-7-13(18)19)9-1-3-10-8(5-9)2-4-12(17)15-10/h1,3,5,14H,2,4,6-7H2,(H,15,17)(H,18,19)
InChIKeyJKSHSCATEGNOAQ-UHFFFAOYSA-N
XLogP0.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119204206
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid (CID 82485450) is 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid is O=C(O)CNCC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid?
The InChIKey is JKSHSCATEGNOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11(6-14-7-13(18)19)9-1-3-10-8(5-9)2-4-12(17)15-10/h1,3,5,14H,2,4,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid?
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 82485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).