3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid

C11H21NO4 — CID 82706755

IUPAC3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid
SMILESCC(C)CONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)7-16-12-9(13)5-11(3,4)6-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWYPAOHLWCXEEGI-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.58
Rot. Bonds7

About 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid

3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid (PubChem CID 82706755) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid
PubChem CID82706755
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid
SMILESCC(C)CONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)7-16-12-9(13)5-11(3,4)6-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWYPAOHLWCXEEGI-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid (CID 82706755) is 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid is CC(C)CONC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid?
The InChIKey is WYPAOHLWCXEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)7-16-12-9(13)5-11(3,4)6-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-methylpropoxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 82706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).