fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C11H20FNO4 — CID 156509256

IUPACfluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCC(C)[C@H](C(=O)OF)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-7(2)8(9(14)17-12)13(6)10(15)16-11(3,4)5/h7-8H,1-6H3/t8-/m1/s1
InChIKeyXDZBOHJSQUBABA-MRVPVSSYSA-N
MW249.28 g/mol
LogP2.31
Rot. Bonds3

About fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 156509256) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Namefluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID156509256
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Namefluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCC(C)[C@H](C(=O)OF)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-7(2)8(9(14)17-12)13(6)10(15)16-11(3,4)5/h7-8H,1-6H3/t8-/m1/s1
InChIKeyXDZBOHJSQUBABA-MRVPVSSYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate 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

Boc-N-methyl-L-valine
CID 7010608
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
(2R)-2-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 58615437
2-(((Tert-butoxy)carbonyl)(methyl)amino)-4,4,4-trifluorobutanoic acid
CID 122703542
Boc-N-Me-Dl-Val-Oh
CID 4003029
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
methyl (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoate
CID 15655825
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 101053580
methyl (2R)-4,4-difluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 171085004
Methyl n-(tert-butoxycarbonyl)-n-methylvalinate
CID 282056
N-Boc-N-methyl-L-valine methyl ester
CID 15655826

Frequently Asked Questions

What is the IUPAC name of fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 156509256) is fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is CC(C)[C@H](C(=O)OF)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is XDZBOHJSQUBABA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-7(2)8(9(14)17-12)13(6)10(15)16-11(3,4)5/h7-8H,1-6H3/t8-/m1/s1.
What are the key properties of fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 249.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 156509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).