4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H17NO5 — CID 163440087

IUPAC4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(=O)/N=C(\CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO5/c1-7(13)12-8(5-6-9(14)15)10(16)17-11(2,3)4/h5-6H2,1-4H3,(H,14,15)/b12-8+
InChIKeyAXTWFDWKHUOAPQ-XYOKQWHBSA-N
MW243.26 g/mol
LogP1.18
Rot. Bonds4

About 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 163440087) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID163440087
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(=O)/N=C(\CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO5/c1-7(13)12-8(5-6-9(14)15)10(16)17-11(2,3)4/h5-6H2,1-4H3,(H,14,15)/b12-8+
InChIKeyAXTWFDWKHUOAPQ-XYOKQWHBSA-N
XLogP1.18
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
CID 163534860
5-Methoxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 164060894
5-Methoxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 173695526
5-[(2-Methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 173971365
4-[(2-Methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 159246381
ditert-butyl (2E)-2-hydroxyiminopentanedioate
CID 177562241

Frequently Asked Questions

What is the IUPAC name of 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 163440087) is 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(=O)/N=C(\CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is AXTWFDWKHUOAPQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(13)12-8(5-6-9(14)15)10(16)17-11(2,3)4/h5-6H2,1-4H3,(H,14,15)/b12-8+.
What are the key properties of 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 243.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 163440087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).