4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid

C12H17N3O3 — CID 64890850

IUPAC4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O3/c13-10(1-2-11(16)17)12(18)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,1-2,5,8,13H2,(H,15,18)(H,16,17)
InChIKeyKLSOZPXJIYIEEV-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.07
Rot. Bonds7

About 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid

4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid (PubChem CID 64890850) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
PubChem CID64890850
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H17N3O3/c13-10(1-2-11(16)17)12(18)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,1-2,5,8,13H2,(H,15,18)(H,16,17)
InChIKeyKLSOZPXJIYIEEV-UHFFFAOYSA-N
XLogP-0.07
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
4-amino-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 64888177
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid (CID 64890850) is 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid is NC(CCC(=O)O)C(=O)NCCc1ccncc1.
What is the InChIKey of 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid?
The InChIKey is KLSOZPXJIYIEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(1-2-11(16)17)12(18)15-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,1-2,5,8,13H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid?
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid has a molecular weight of 251.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid is sourced from PubChem (CID 64890850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).