5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid

C13H21NO6 — CID 82787504

IUPAC5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H21NO6/c1-19-12(16)6-5-10(13(17)18)14-11(15)8-9-4-2-3-7-20-9/h9-10H,2-8H2,1H3,(H,14,15)(H,17,18)
InChIKeyQIQBQHIUHPTBKC-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.47
Rot. Bonds7

About 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid

5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 82787504) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID82787504
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H21NO6/c1-19-12(16)6-5-10(13(17)18)14-11(15)8-9-4-2-3-7-20-9/h9-10H,2-8H2,1H3,(H,14,15)(H,17,18)
InChIKeyQIQBQHIUHPTBKC-UHFFFAOYSA-N
XLogP0.47
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
CID 107831657
(2R)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827192
(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827194
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(2R)-5-methoxy-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]-5-oxopentanoic acid
CID 107827626
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid (CID 82787504) is 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)CC1CCCCO1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is QIQBQHIUHPTBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6/c1-19-12(16)6-5-10(13(17)18)14-11(15)8-9-4-2-3-7-20-9/h9-10H,2-8H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid?
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 287.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 82787504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).