5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid

C13H22N2O5 — CID 82786150

IUPAC5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFQALWNQELCGUFZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.10
Rot. Bonds7

About 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid

5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid (PubChem CID 82786150) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
PubChem CID82786150
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFQALWNQELCGUFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826516
(2S)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826517
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid (CID 82786150) is 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid is COC(=O)CCC(NC(=O)CC1CCNCC1)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The InChIKey is FQALWNQELCGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 82786150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).