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

C9H16FNO4 — CID 15941024

IUPAC(2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CF)C(=O)O
InChIInChI=1S/C9H16FNO4/c1-9(2,3)15-8(14)11(4)6(5-10)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKeyFFBDRDXWIXEMGM-LURJTMIESA-N
MW221.23 g/mol
LogP1.28
Rot. Bonds3

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

(2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 15941024) has the molecular formula C9H16FNO4 and a molecular weight of 221.23 g/mol. Its IUPAC name is (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID15941024
Molecular FormulaC9H16FNO4
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CF)C(=O)O
InChIInChI=1S/C9H16FNO4/c1-9(2,3)15-8(14)11(4)6(5-10)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKeyFFBDRDXWIXEMGM-LURJTMIESA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CID 83692
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
2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-fluoropropanoic acid
CID 13105160
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)amino)-3-fluoropropanoic acid
CID 13105158
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-alanine
CID 13105159
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889

Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 15941024) is (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CN(C(=O)OC(C)(C)C)[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is FFBDRDXWIXEMGM-LURJTMIESA-N. The full InChI is InChI=1S/C9H16FNO4/c1-9(2,3)15-8(14)11(4)6(5-10)7(12)13/h6H,5H2,1-4H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
(2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 221.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 15941024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).