tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate

C10H21FN2O3 — CID 178200645

IUPACtert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate
SMILESCOC(CN)C(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21FN2O3/c1-10(2,3)16-9(14)13-6-7(11)8(5-12)15-4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyGDPQHUDXOFHMHF-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.82
Rot. Bonds5

About tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate

tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate (PubChem CID 178200645) has the molecular formula C10H21FN2O3 and a molecular weight of 236.29 g/mol. Its IUPAC name is tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate
PubChem CID178200645
Molecular FormulaC10H21FN2O3
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate
SMILESCOC(CN)C(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21FN2O3/c1-10(2,3)16-9(14)13-6-7(11)8(5-12)15-4/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyGDPQHUDXOFHMHF-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate (CID 178200645) is tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate is COC(CN)C(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate?
The InChIKey is GDPQHUDXOFHMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O3/c1-10(2,3)16-9(14)13-6-7(11)8(5-12)15-4/h7-8H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate?
tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate has a molecular weight of 236.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-2-fluoro-3-methoxybutyl)carbamate is sourced from PubChem (CID 178200645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).