tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate

C15H21FN2O4 — CID 67636442

IUPACtert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(O)C(N)=O
InChIInChI=1S/C15H21FN2O4/c1-15(2,3)22-14(21)18-11(12(19)13(17)20)8-9-6-4-5-7-10(9)16/h4-7,11-12,19H,8H2,1-3H3,(H2,17,20)(H,18,21)/t11-,12?/m0/s1
InChIKeyREMJROJXDFLYCI-PXYINDEMSA-N
MW312.34 g/mol
LogP1.11
Rot. Bonds5

About tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate (PubChem CID 67636442) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate
PubChem CID67636442
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(O)C(N)=O
InChIInChI=1S/C15H21FN2O4/c1-15(2,3)22-14(21)18-11(12(19)13(17)20)8-9-6-4-5-7-10(9)16/h4-7,11-12,19H,8H2,1-3H3,(H2,17,20)(H,18,21)/t11-,12?/m0/s1
InChIKeyREMJROJXDFLYCI-PXYINDEMSA-N
XLogP1.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate (CID 67636442) is tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(O)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate?
The InChIKey is REMJROJXDFLYCI-PXYINDEMSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-15(2,3)22-14(21)18-11(12(19)13(17)20)8-9-6-4-5-7-10(9)16/h4-7,11-12,19H,8H2,1-3H3,(H2,17,20)(H,18,21)/t11-,12?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate has a molecular weight of 312.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-amino-1-(2-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 67636442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).