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

C17H17FN2O3 — CID 56990044

IUPACbenzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@](NC(=O)OCc1ccccc1)(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-17(15(19)21,13-7-9-14(18)10-8-13)20-16(22)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)/t17-/m1/s1
InChIKeyBPEMLPKBYDRXSE-QGZVFWFLSA-N
MW316.33 g/mol
LogP2.45
Rot. Bonds5

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

benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 56990044) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID56990044
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namebenzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@](NC(=O)OCc1ccccc1)(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-17(15(19)21,13-7-9-14(18)10-8-13)20-16(22)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)/t17-/m1/s1
InChIKeyBPEMLPKBYDRXSE-QGZVFWFLSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (CID 56990044) is benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is C[C@](NC(=O)OCc1ccccc1)(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is BPEMLPKBYDRXSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-17(15(19)21,13-7-9-14(18)10-8-13)20-16(22)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)/t17-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-amino-2-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 56990044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).