3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid

C10H18F2N2O4 — CID 107481647

IUPAC3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N(CCO)CC(F)F)C(C)C(=O)O
InChIInChI=1S/C10H18F2N2O4/c1-6(9(16)17)7(2)13-10(18)14(3-4-15)5-8(11)12/h6-8,15H,3-5H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyUGBJZNQORSXWBR-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.36
Rot. Bonds7

About 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid

3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 107481647) has the molecular formula C10H18F2N2O4 and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID107481647
Molecular FormulaC10H18F2N2O4
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N(CCO)CC(F)F)C(C)C(=O)O
InChIInChI=1S/C10H18F2N2O4/c1-6(9(16)17)7(2)13-10(18)14(3-4-15)5-8(11)12/h6-8,15H,3-5H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyUGBJZNQORSXWBR-UHFFFAOYSA-N
XLogP0.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 55009410
3-Methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
(2S)-3-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009615
4-Hydroxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009663
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009703
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009713
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009808
3-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009812
(2S)-3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009955
4-Hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010002
(2S)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55010086

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid (CID 107481647) is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid is CC(NC(=O)N(CCO)CC(F)F)C(C)C(=O)O.
What is the InChIKey of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is UGBJZNQORSXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O4/c1-6(9(16)17)7(2)13-10(18)14(3-4-15)5-8(11)12/h6-8,15H,3-5H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid?
3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 268.26 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 107481647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).