4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid

C11H19F2NO4 — CID 106167948

IUPAC4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC(F)(F)CO)C(=O)O
InChIInChI=1S/C11H19F2NO4/c1-3-10(4-2,9(17)18)5-8(16)14-6-11(12,13)7-15/h15H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyGJSODALKXGNWIX-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.01
Rot. Bonds8

About 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid

4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 106167948) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID106167948
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCC(F)(F)CO)C(=O)O
InChIInChI=1S/C11H19F2NO4/c1-3-10(4-2,9(17)18)5-8(16)14-6-11(12,13)7-15/h15H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyGJSODALKXGNWIX-UHFFFAOYSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 106167948) is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NCC(F)(F)CO)C(=O)O.
What is the InChIKey of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is GJSODALKXGNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-3-10(4-2,9(17)18)5-8(16)14-6-11(12,13)7-15/h15H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 267.27 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 106167948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).