2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C7H12FNO4 — CID 89303365

IUPAC2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(F)CC(=O)O
InChIInChI=1S/C7H12FNO4/c1-7(2,3)13-6(12)9(8)4-5(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyIQXIHJWTFSNBKD-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.19
Rot. Bonds2

About 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 89303365) has the molecular formula C7H12FNO4 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID89303365
Molecular FormulaC7H12FNO4
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(F)CC(=O)O
InChIInChI=1S/C7H12FNO4/c1-7(2,3)13-6(12)9(8)4-5(10)11/h4H2,1-3H3,(H,10,11)
InChIKeyIQXIHJWTFSNBKD-UHFFFAOYSA-N
XLogP1.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 89303365) is 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(F)CC(=O)O.
What is the InChIKey of 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is IQXIHJWTFSNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4/c1-7(2,3)13-6(12)9(8)4-5(10)11/h4H2,1-3H3,(H,10,11).
What are the key properties of 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 193.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 89303365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).