5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid

C11H21NO3 — CID 104827520

IUPAC5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(11(2,3)4)12-9(13)6-5-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyKQWXQJKZBZFDMY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds5

About 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid

5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid (PubChem CID 104827520) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
PubChem CID104827520
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)CCCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(11(2,3)4)12-9(13)6-5-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyKQWXQJKZBZFDMY-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 115749589
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
CID 89296216
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
chloromethane;pentanedioic acid
CID 159659659
(2S)-2-(4-carboxybutanoylamino)butanedioic acid
CID 87693716
5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
CID 89215888

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid (CID 104827520) is 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid is CC(NC(=O)CCCC(=O)O)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid?
The InChIKey is KQWXQJKZBZFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(11(2,3)4)12-9(13)6-5-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid?
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 104827520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).