tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate

C11H19FN2O3 — CID 86650707

IUPACtert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C11H19FN2O3/c1-11(2,3)17-10(16)13-6-9(15)14-5-4-8(12)7-14/h8H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyDPHDEOKFXPFTIJ-QMMMGPOBSA-N
MW246.28 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 86650707) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID86650707
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Nametert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C11H19FN2O3/c1-11(2,3)17-10(16)13-6-9(15)14-5-4-8(12)7-14/h8H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyDPHDEOKFXPFTIJ-QMMMGPOBSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 86650707) is tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CC[C@H](F)C1.
What is the InChIKey of tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is DPHDEOKFXPFTIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-11(2,3)17-10(16)13-6-9(15)14-5-4-8(12)7-14/h8H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 246.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 86650707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).