4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid

C14H27NO3 — CID 89426217

IUPAC4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)9-10-15(14(4,5)6)11(16)7-8-12(17)18/h7-10H2,1-6H3,(H,17,18)
InChIKeyQJDBEUKGXZUWSP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.91
Rot. Bonds5

About 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid

4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid (PubChem CID 89426217) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid
PubChem CID89426217
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)9-10-15(14(4,5)6)11(16)7-8-12(17)18/h7-10H2,1-6H3,(H,17,18)
InChIKeyQJDBEUKGXZUWSP-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid (CID 89426217) is 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid is CC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is QJDBEUKGXZUWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)9-10-15(14(4,5)6)11(16)7-8-12(17)18/h7-10H2,1-6H3,(H,17,18).
What are the key properties of 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid?
4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(3,3-dimethylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 89426217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).