(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one

C10H19FN2O — CID 10584272

IUPAC(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1
InChIInChI=1S/C10H19FN2O/c1-3-7(2)9(12)10(14)13-5-4-8(11)6-13/h7-9H,3-6,12H2,1-2H3/t7-,8?,9-/m0/s1
InChIKeyINAAURZIHBQNQA-SMOXQLQSSA-N
MW202.27 g/mol
LogP0.93
Rot. Bonds3

About (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one

(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one (PubChem CID 10584272) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one
PubChem CID10584272
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1
InChIInChI=1S/C10H19FN2O/c1-3-7(2)9(12)10(14)13-5-4-8(11)6-13/h7-9H,3-6,12H2,1-2H3/t7-,8?,9-/m0/s1
InChIKeyINAAURZIHBQNQA-SMOXQLQSSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one (CID 10584272) is (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCC(F)C1.
What is the InChIKey of (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one?
The InChIKey is INAAURZIHBQNQA-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-3-7(2)9(12)10(14)13-5-4-8(11)6-13/h7-9H,3-6,12H2,1-2H3/t7-,8?,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one?
(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one has a molecular weight of 202.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 10584272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).