4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C11H17FN2O5 — CID 142004936

IUPAC4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)F)CC1C(=O)O
InChIInChI=1S/C11H17FN2O5/c1-11(2,3)19-10(18)14-5-4-13(9(12)17)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyGUUSROASUBOYPU-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.08
Rot. Bonds1

About 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 142004936) has the molecular formula C11H17FN2O5 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID142004936
Molecular FormulaC11H17FN2O5
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)F)CC1C(=O)O
InChIInChI=1S/C11H17FN2O5/c1-11(2,3)19-10(18)14-5-4-13(9(12)17)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyGUUSROASUBOYPU-UHFFFAOYSA-N
XLogP1.08
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 142004936) is 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(C(=O)F)CC1C(=O)O.
What is the InChIKey of 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is GUUSROASUBOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O5/c1-11(2,3)19-10(18)14-5-4-13(9(12)17)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 142004936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).