4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C13H25NO4 — CID 65299755

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCC(C)N(CCOC)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-10(2)14(7-8-18-5)11(15)9-13(3,4)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyYWVZDTPFBNOVHM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.76
Rot. Bonds8

About 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299755) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299755
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCC(C)N(CCOC)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-10(2)14(7-8-18-5)11(15)9-13(3,4)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyYWVZDTPFBNOVHM-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299755) is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCC(C)N(CCOC)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YWVZDTPFBNOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-10(2)14(7-8-18-5)11(15)9-13(3,4)12(16)17/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).