5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid

C16H20N2O4 — CID 119235203

IUPAC5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-14(17-10-4-3-7-16(21)22)11-18-13-6-2-1-5-12(13)8-9-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19)(H,21,22)
InChIKeyOVECRVUSYJYLIP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.34
Rot. Bonds7

About 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid

5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 119235203) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
PubChem CID119235203
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-14(17-10-4-3-7-16(21)22)11-18-13-6-2-1-5-12(13)8-9-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19)(H,21,22)
InChIKeyOVECRVUSYJYLIP-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
N-[3-(2-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831161
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548672
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 111115296
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677529
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid (CID 119235203) is 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is OVECRVUSYJYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(17-10-4-3-7-16(21)22)11-18-13-6-2-1-5-12(13)8-9-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19)(H,21,22).
What are the key properties of 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid?
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119235203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).