3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C8H14FNO4 — CID 13105158

IUPAC3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CF)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPQTDAIHXUZZXQM-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.93
Rot. Bonds3

About 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 13105158) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID13105158
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CF)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPQTDAIHXUZZXQM-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Boc-L-Valine
CID 83693
Tert-butoxycarbonylalanine
CID 85082
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
N-[tert-butoxycarbonyl]-L-serine
CID 98766
2-N-Boc-aminopropionic acid
CID 268471
Boc-DL-valine
CID 270655
(2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acid
CID 637605
2-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 333522
(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
CID 637603
BOC-D-alanine
CID 637606
3-Amino-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 3297195
2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid
CID 294907

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 13105158) is 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC(CF)C(=O)O.
What is the InChIKey of 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is PQTDAIHXUZZXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 13105158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).