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

C10H19NO4 — CID 20666032

IUPAC2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCNC(CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-5-7(11-4)9(13)14/h7,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyXJBVKRGMBOGCPS-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds5

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

2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 20666032) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID20666032
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCNC(CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-5-7(11-4)9(13)14/h7,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyXJBVKRGMBOGCPS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 20666032) is 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CNC(CCC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is XJBVKRGMBOGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-8(12)6-5-7(11-4)9(13)14/h7,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 20666032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).