tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate

C14H19FN2O3 — CID 57126553

IUPACtert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-13(2,3)20-12(19)17-14(4,11(16)18)9-5-7-10(15)8-6-9/h5-8H,1-4H3,(H2,16,18)(H,17,19)/t14-/m1/s1
InChIKeyUSTFMWGWWFYIAH-CQSZACIVSA-N
MW282.31 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 57126553) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID57126553
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-13(2,3)20-12(19)17-14(4,11(16)18)9-5-7-10(15)8-6-9/h5-8H,1-4H3,(H2,16,18)(H,17,19)/t14-/m1/s1
InChIKeyUSTFMWGWWFYIAH-CQSZACIVSA-N
XLogP2.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (CID 57126553) is tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@](C)(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is USTFMWGWWFYIAH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-13(2,3)20-12(19)17-14(4,11(16)18)9-5-7-10(15)8-6-9/h5-8H,1-4H3,(H2,16,18)(H,17,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 57126553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).