3,3-dimethylbutyl 2-amino-4-oxopentanoate

C11H21NO3 — CID 150524137

IUPAC3,3-dimethylbutyl 2-amino-4-oxopentanoate
SMILESCC(=O)CC(N)C(=O)OCCC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(13)7-9(12)10(14)15-6-5-11(2,3)4/h9H,5-7,12H2,1-4H3
InChIKeyICLLWSATIRGUQG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.27
Rot. Bonds5

About 3,3-dimethylbutyl 2-amino-4-oxopentanoate

3,3-dimethylbutyl 2-amino-4-oxopentanoate (PubChem CID 150524137) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3,3-dimethylbutyl 2-amino-4-oxopentanoate.

Molecular Properties

Compound Name3,3-dimethylbutyl 2-amino-4-oxopentanoate
PubChem CID150524137
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3,3-dimethylbutyl 2-amino-4-oxopentanoate
SMILESCC(=O)CC(N)C(=O)OCCC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(13)7-9(12)10(14)15-6-5-11(2,3)4/h9H,5-7,12H2,1-4H3
InChIKeyICLLWSATIRGUQG-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 2-amino-4-oxopentanoate
CID 58554581
3,3-dimethylbutyl (2S)-2-amino-3,3-dimethylbutanoate
CID 66226213
pentyl 2-amino-4-oxopentanoate
CID 154083571
hexyl 2-amino-4-oxopentanoate
CID 87214543
3,3-dimethylbutyl 3-oxobutanoate
CID 13081174
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
3,3-dimethylbutyl 2-amino-2-methylpropanoate
CID 66227109
3,3-dimethylbutyl 5-amino-2-methylpentanoate
CID 104686041
methyl 2-(3,3-dimethylbutylamino)-4-oxopentanoate
CID 58171891
3,3-dimethylbutyl 2-amino-2-thiophen-2-ylacetate
CID 115285085
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl 2-amino-4-oxopentanoate?
The IUPAC name of 3,3-dimethylbutyl 2-amino-4-oxopentanoate (CID 150524137) is 3,3-dimethylbutyl 2-amino-4-oxopentanoate.
What is the SMILES notation for 3,3-dimethylbutyl 2-amino-4-oxopentanoate?
The canonical SMILES for 3,3-dimethylbutyl 2-amino-4-oxopentanoate is CC(=O)CC(N)C(=O)OCCC(C)(C)C.
What is the InChIKey of 3,3-dimethylbutyl 2-amino-4-oxopentanoate?
The InChIKey is ICLLWSATIRGUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)7-9(12)10(14)15-6-5-11(2,3)4/h9H,5-7,12H2,1-4H3.
What are the key properties of 3,3-dimethylbutyl 2-amino-4-oxopentanoate?
3,3-dimethylbutyl 2-amino-4-oxopentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl 2-amino-4-oxopentanoate is sourced from PubChem (CID 150524137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).