3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid

C10H17F3N2O4 — CID 103159562

IUPAC3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-15(4-3-10(11,12)13)9(18)14-6-7(19-2)5-8(16)17/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJGPZFXHCCUFMRQ-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.07
Rot. Bonds7

About 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid

3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid (PubChem CID 103159562) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
PubChem CID103159562
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-15(4-3-10(11,12)13)9(18)14-6-7(19-2)5-8(16)17/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJGPZFXHCCUFMRQ-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic 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

4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
3-methoxy-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 103153021
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
3-methoxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 103158829
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 79010195
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid (CID 103159562) is 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid is COC(CNC(=O)N(C)CCC(F)(F)F)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
The InChIKey is JGPZFXHCCUFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-15(4-3-10(11,12)13)9(18)14-6-7(19-2)5-8(16)17/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid?
3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid has a molecular weight of 286.25 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 103159562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).