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

C13H22N2O6 — CID 82781715

IUPAC5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COC1CCNCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-21-9-4-6-14-7-5-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyDNKYZYILLSNSRH-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.72
Rot. Bonds8

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

5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid (PubChem CID 82781715) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
PubChem CID82781715
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COC1CCNCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-21-9-4-6-14-7-5-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyDNKYZYILLSNSRH-UHFFFAOYSA-N
XLogP-0.72
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid with MolForge

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Related Compounds

5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(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
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
CID 102656504
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
N-(3-methylbutan-2-yl)-2-piperidin-4-yloxyacetamide
CID 61489309
(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)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid (CID 82781715) is 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid is COC(=O)CCC(NC(=O)COC1CCNCC1)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid?
The InChIKey is DNKYZYILLSNSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-20-12(17)3-2-10(13(18)19)15-11(16)8-21-9-4-6-14-7-5-9/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-yloxyacetyl)amino]pentanoic acid?
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid has a molecular weight of 302.33 g/mol, XLogP of -0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid is sourced from PubChem (CID 82781715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).