(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C8H14F2N2O2 — CID 120553005

IUPAC(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14F2N2O2/c1-12(4-7(9)10)8(14)6-2-5(13)3-11-6/h5-7,11,13H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyYSYYGKSRDKDXJK-NTSWFWBYSA-N
MW208.21 g/mol
LogP-0.57
Rot. Bonds3

About (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 120553005) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID120553005
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14F2N2O2/c1-12(4-7(9)10)8(14)6-2-5(13)3-11-6/h5-7,11,13H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyYSYYGKSRDKDXJK-NTSWFWBYSA-N
XLogP-0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 114948997
N-[2-(cyclopropylamino)-2-oxoethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 43579084
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 62639278
(2R,4R)-4-hydroxy-N-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methylpyrrolidine-2-carboxamide
CID 124686874
N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 77158348
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
N-(2-amino-2-oxoethyl)-4-hydroxy-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60963717
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 120553005) is (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(CC(F)F)C(=O)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YSYYGKSRDKDXJK-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-12(4-7(9)10)8(14)6-2-5(13)3-11-6/h5-7,11,13H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120553005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).