tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate

C12H25FN2O3 — CID 138694229

IUPACtert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H25FN2O3/c1-11(2,3)18-10(16)15-6-7-17-12(4,5)9(13)8-14/h9H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyRYSOQKGWMNONIE-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.60
Rot. Bonds6

About tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate

tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate (PubChem CID 138694229) has the molecular formula C12H25FN2O3 and a molecular weight of 264.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate
PubChem CID138694229
Molecular FormulaC12H25FN2O3
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(C)(C)C(F)CN
InChIInChI=1S/C12H25FN2O3/c1-11(2,3)18-10(16)15-6-7-17-12(4,5)9(13)8-14/h9H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyRYSOQKGWMNONIE-UHFFFAOYSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate (CID 138694229) is tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOC(C)(C)C(F)CN.
What is the InChIKey of tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate?
The InChIKey is RYSOQKGWMNONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O3/c1-11(2,3)18-10(16)15-6-7-17-12(4,5)9(13)8-14/h9H,6-8,14H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate?
tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate has a molecular weight of 264.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-3-fluoro-2-methylbutan-2-yl)oxyethyl]carbamate is sourced from PubChem (CID 138694229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).