5-[tert-butyl(methyl)amino]-5-oxopentanoic acid

C10H19NO3 — CID 83531891

IUPAC5-[tert-butyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)11(4)8(12)6-5-7-9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyVLXMZUJEEZIRRN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds4

About 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid

5-[tert-butyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 83531891) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[tert-butyl(methyl)amino]-5-oxopentanoic acid
PubChem CID83531891
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-[tert-butyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)11(4)8(12)6-5-7-9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyVLXMZUJEEZIRRN-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid (CID 83531891) is 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid is CN(C(=O)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is VLXMZUJEEZIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)11(4)8(12)6-5-7-9(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid?
5-[tert-butyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 83531891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).