4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid

C16H20N2O3 — CID 64890283

IUPAC4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O3/c17-14(6-7-15(19)20)16(21)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-5,8,14H,6-7,9-11,17H2,(H,19,20)
InChIKeyQODKVNCGDZYXSP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds5

About 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid

4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid (PubChem CID 64890283) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
PubChem CID64890283
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H20N2O3/c17-14(6-7-15(19)20)16(21)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-5,8,14H,6-7,9-11,17H2,(H,19,20)
InChIKeyQODKVNCGDZYXSP-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 61163140
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 107146692
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfanylbutan-1-one
CID 104921225
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 38298963
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
CID 143163887
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525
2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 81171726

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid (CID 64890283) is 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid is NC(CCC(=O)O)C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The InChIKey is QODKVNCGDZYXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-14(6-7-15(19)20)16(21)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-5,8,14H,6-7,9-11,17H2,(H,19,20).
What are the key properties of 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid is sourced from PubChem (CID 64890283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).