(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide

C10H19FN2O — CID 167135356

IUPAC(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)8(3)12-10(14)13-5-4-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyQXWGSYOZVQXKHS-BDAKNGLRSA-N
MW202.27 g/mol
LogP1.78
Rot. Bonds2

About (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide

(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 167135356) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
PubChem CID167135356
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)8(3)12-10(14)13-5-4-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyQXWGSYOZVQXKHS-BDAKNGLRSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide (CID 167135356) is (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is QXWGSYOZVQXKHS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-7(2)8(3)12-10(14)13-5-4-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)/t8-,9+/m1/s1.
What are the key properties of (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
(3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).