(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide

C6H11FN2O — CID 59689211

IUPAC(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C6H11FN2O/c1-9-3-4(7)2-5(9)6(8)10/h4-5H,2-3H2,1H3,(H2,8,10)/t4-,5-/m0/s1
InChIKeyIAHHUOYTIXHXOE-WHFBIAKZSA-N
MW146.16 g/mol
LogP-0.49
Rot. Bonds1

About (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide

(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide (PubChem CID 59689211) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide
PubChem CID59689211
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C6H11FN2O/c1-9-3-4(7)2-5(9)6(8)10/h4-5H,2-3H2,1H3,(H2,8,10)/t4-,5-/m0/s1
InChIKeyIAHHUOYTIXHXOE-WHFBIAKZSA-N
XLogP-0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide (CID 59689211) is (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide is CN1C[C@@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The InChIKey is IAHHUOYTIXHXOE-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-9-3-4(7)2-5(9)6(8)10/h4-5H,2-3H2,1H3,(H2,8,10)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide has a molecular weight of 146.16 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59689211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).