(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C10H17FN2O2 — CID 162679059

IUPAC(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H17FN2O2/c11-7-5-9(12-6-7)10(14)13-8-1-3-15-4-2-8/h7-9,12H,1-6H2,(H,13,14)/t7-,9+/m1/s1
InChIKeyKSRCAZBMZXSNOW-APPZFPTMSA-N
MW216.26 g/mol
LogP-0.02
Rot. Bonds2

About (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 162679059) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID162679059
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H17FN2O2/c11-7-5-9(12-6-7)10(14)13-8-1-3-15-4-2-8/h7-9,12H,1-6H2,(H,13,14)/t7-,9+/m1/s1
InChIKeyKSRCAZBMZXSNOW-APPZFPTMSA-N
XLogP-0.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 162679059) is (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(NC1CCOCC1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is KSRCAZBMZXSNOW-APPZFPTMSA-N. The full InChI is InChI=1S/C10H17FN2O2/c11-7-5-9(12-6-7)10(14)13-8-1-3-15-4-2-8/h7-9,12H,1-6H2,(H,13,14)/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 216.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 162679059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).