(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

C8H15ClFN3O2 — CID 131160678

IUPAC(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)CNC(=O)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C8H14FN3O2.ClH/c1-10-7(13)4-12-8(14)6-2-5(9)3-11-6;/h5-6,11H,2-4H2,1H3,(H,10,13)(H,12,14);1H/t5-,6+;/m0./s1
InChIKeyLPJKLKZFNFHNJU-RIHPBJNCSA-N
MW239.68 g/mol
LogP-1.03
Rot. Bonds3

About (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 131160678) has the molecular formula C8H15ClFN3O2 and a molecular weight of 239.68 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID131160678
Molecular FormulaC8H15ClFN3O2
Molecular Weight239.68 g/mol
Exact Mass239.08
IUPAC Name(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)CNC(=O)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C8H14FN3O2.ClH/c1-10-7(13)4-12-8(14)6-2-5(9)3-11-6;/h5-6,11H,2-4H2,1H3,(H,10,13)(H,12,14);1H/t5-,6+;/m0./s1
InChIKeyLPJKLKZFNFHNJU-RIHPBJNCSA-N
XLogP-1.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 131160678) is (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is CNC(=O)CNC(=O)[C@H]1C[C@H](F)CN1.Cl.
What is the InChIKey of (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LPJKLKZFNFHNJU-RIHPBJNCSA-N. The full InChI is InChI=1S/C8H14FN3O2.ClH/c1-10-7(13)4-12-8(14)6-2-5(9)3-11-6;/h5-6,11H,2-4H2,1H3,(H,10,13)(H,12,14);1H/t5-,6+;/m0./s1.
What are the key properties of (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 239.68 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 131160678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).