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

C8H14FNO4 — CID 13105160

IUPAC(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](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)/t5-/m0/s1
InChIKeyPQTDAIHXUZZXQM-YFKPBYRVSA-N
MW207.20 g/mol
LogP0.93
Rot. Bonds3

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

(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 13105160) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID13105160
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](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)/t5-/m0/s1
InChIKeyPQTDAIHXUZZXQM-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 13105160) is (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is PQTDAIHXUZZXQM-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R)-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 (2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 13105160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).