(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

C5H10ClFN2O — CID 45158917

IUPAC(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H9FN2O.ClH/c6-3-1-4(5(7)9)8-2-3;/h3-4,8H,1-2H2,(H2,7,9);1H/t3-,4-;/m0./s1
InChIKeyYIEACUBSPQGCLW-MMALYQPHSA-N
MW168.60 g/mol
LogP-0.41
Rot. Bonds1

About (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 45158917) has the molecular formula C5H10ClFN2O and a molecular weight of 168.60 g/mol. Its IUPAC name is (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID45158917
Molecular FormulaC5H10ClFN2O
Molecular Weight168.60 g/mol
Exact Mass168.05
IUPAC Name(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H9FN2O.ClH/c6-3-1-4(5(7)9)8-2-3;/h3-4,8H,1-2H2,(H2,7,9);1H/t3-,4-;/m0./s1
InChIKeyYIEACUBSPQGCLW-MMALYQPHSA-N
XLogP-0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (CID 45158917) is (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YIEACUBSPQGCLW-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9FN2O.ClH/c6-3-1-4(5(7)9)8-2-3;/h3-4,8H,1-2H2,(H2,7,9);1H/t3-,4-;/m0./s1.
What are the key properties of (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 168.60 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 45158917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).