4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

C10H16F3NO4 — CID 122703542

IUPAC4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14(4)6(7(15)16)5-10(11,12)13/h6H,5H2,1-4H3,(H,15,16)
InChIKeyFTMMRODRMJIILF-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.26
Rot. Bonds3

About 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (PubChem CID 122703542) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
PubChem CID122703542
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14(4)6(7(15)16)5-10(11,12)13/h6H,5H2,1-4H3,(H,15,16)
InChIKeyFTMMRODRMJIILF-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid with MolForge

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Related Compounds

Boc-N-methyl-L-valine
CID 7010608
2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
(2R)-2-(((tert-butoxy)carbonyl)amino)-4,4,4-trifluorobutanoic acid
CID 11043389
2-(((Tert-butoxy)carbonyl)amino)-4,4,4-trifluorobutanoic acid
CID 12098057
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
(2S)-2-{[(tert-butoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid
CID 11230624
Boc-D,L-4,4,4-trifluorovaline
CID 11231050
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-(((Tert-butoxy)carbonyl)amino)-4,4-difluorobutanoic acid
CID 21063857
2-(((Tert-butoxy)carbonyl)amino)-3-fluoro-3-methylbutanoic acid
CID 46737272
(2R)-2-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 58615437

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid (CID 122703542) is 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is CN(C(=O)OC(C)(C)C)C(CC(F)(F)F)C(=O)O.
What is the InChIKey of 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
The InChIKey is FTMMRODRMJIILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14(4)6(7(15)16)5-10(11,12)13/h6H,5H2,1-4H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid?
4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid has a molecular weight of 271.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid is sourced from PubChem (CID 122703542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).