2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid

C16H20N2O4 — CID 67379737

IUPAC2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NC(Oc1cccc2c1NCC=C2)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-2-3-9-13(19)18-15(16(20)21)22-12-8-4-6-11-7-5-10-17-14(11)12/h4-8,15,17H,2-3,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPCOKUHKRFUMNJL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.22
Rot. Bonds7

About 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid

2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid (PubChem CID 67379737) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid
PubChem CID67379737
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NC(Oc1cccc2c1NCC=C2)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-2-3-9-13(19)18-15(16(20)21)22-12-8-4-6-11-7-5-10-17-14(11)12/h4-8,15,17H,2-3,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPCOKUHKRFUMNJL-UHFFFAOYSA-N
XLogP2.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
N-(1,2-diphenylethyl)pentanamide
CID 134014505
1,1'-biphenyl;(2S)-3-methyl-2-(pentanoylamino)butanoic acid
CID 174536151
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid?
The IUPAC name of 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid (CID 67379737) is 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid.
What is the SMILES notation for 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid?
The canonical SMILES for 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid is CCCCC(=O)NC(Oc1cccc2c1NCC=C2)C(=O)O.
What is the InChIKey of 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid?
The InChIKey is PCOKUHKRFUMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-3-9-13(19)18-15(16(20)21)22-12-8-4-6-11-7-5-10-17-14(11)12/h4-8,15,17H,2-3,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid?
2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid has a molecular weight of 304.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroquinolin-8-yloxy)-2-(pentanoylamino)acetic acid is sourced from PubChem (CID 67379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).