5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid

C15H21N3O5 — CID 82031085

IUPAC5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
SMILESCCCC(C(=O)NC(CCC(N)=O)C(=O)O)n1ccccc1=O
InChIInChI=1S/C15H21N3O5/c1-2-5-11(18-9-4-3-6-13(18)20)14(21)17-10(15(22)23)7-8-12(16)19/h3-4,6,9-11H,2,5,7-8H2,1H3,(H2,16,19)(H,17,21)(H,22,23)
InChIKeyMDDSICWBNCMLQF-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.02
Rot. Bonds9

About 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid

5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid (PubChem CID 82031085) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
PubChem CID82031085
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
SMILESCCCC(C(=O)NC(CCC(N)=O)C(=O)O)n1ccccc1=O
InChIInChI=1S/C15H21N3O5/c1-2-5-11(18-9-4-3-6-13(18)20)14(21)17-10(15(22)23)7-8-12(16)19/h3-4,6,9-11H,2,5,7-8H2,1H3,(H2,16,19)(H,17,21)(H,22,23)
InChIKeyMDDSICWBNCMLQF-UHFFFAOYSA-N
XLogP0.02
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
CID 82031535
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
CID 68604008
CID 68604008
(2S)-5-amino-2-[(1-ethylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid
CID 61143350
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
CID 90241102
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid (CID 82031085) is 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid is CCCC(C(=O)NC(CCC(N)=O)C(=O)O)n1ccccc1=O.
What is the InChIKey of 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid?
The InChIKey is MDDSICWBNCMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-5-11(18-9-4-3-6-13(18)20)14(21)17-10(15(22)23)7-8-12(16)19/h3-4,6,9-11H,2,5,7-8H2,1H3,(H2,16,19)(H,17,21)(H,22,23).
What are the key properties of 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid?
5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid has a molecular weight of 323.35 g/mol, XLogP of 0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid is sourced from PubChem (CID 82031085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).