(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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Related Compounds

(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
(2R,4R)-N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 129493468
N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 121199959
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130992352
(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428867
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171
(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130835190
(2S,4R)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130758011
(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 130686259
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654
N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
CID 156837561

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).