benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate

C13H17FN2O2 — CID 70733572

IUPACbenzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
SMILESO=C(NC[C@@H]1C[C@H](F)CN1)OCc1ccccc1
InChIInChI=1S/C13H17FN2O2/c14-11-6-12(15-7-11)8-16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyZUOSZQZSRZGEPM-RYUDHWBXSA-N
MW252.29 g/mol
LogP1.61
Rot. Bonds4

About benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate

benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate (PubChem CID 70733572) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
PubChem CID70733572
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namebenzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
SMILESO=C(NC[C@@H]1C[C@H](F)CN1)OCc1ccccc1
InChIInChI=1S/C13H17FN2O2/c14-11-6-12(15-7-11)8-16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyZUOSZQZSRZGEPM-RYUDHWBXSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
CID 125117304
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-[[(3R)-4-nitrosopyrrolidin-3-yl]methyl]carbamate
CID 91332106
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate (CID 70733572) is benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate is O=C(NC[C@@H]1C[C@H](F)CN1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate?
The InChIKey is ZUOSZQZSRZGEPM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-6-12(15-7-11)8-16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate?
benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 70733572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).