(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide

C10H15F2N3O3 — CID 118531971

IUPAC(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C10H15F2N3O3/c1-5(14-6(2)16)9(18)15-4-10(11,12)3-7(15)8(13)17/h5,7H,3-4H2,1-2H3,(H2,13,17)(H,14,16)/t5-,7-/m0/s1
InChIKeyCWILXWHCSOBGLD-FSPLSTOPSA-N
MW263.24 g/mol
LogP-0.77
Rot. Bonds3

About (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 118531971) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID118531971
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C10H15F2N3O3/c1-5(14-6(2)16)9(18)15-4-10(11,12)3-7(15)8(13)17/h5,7H,3-4H2,1-2H3,(H2,13,17)(H,14,16)/t5-,7-/m0/s1
InChIKeyCWILXWHCSOBGLD-FSPLSTOPSA-N
XLogP-0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 118531971) is (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide is CC(=O)N[C@@H](C)C(=O)N1CC(F)(F)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is CWILXWHCSOBGLD-FSPLSTOPSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-5(14-6(2)16)9(18)15-4-10(11,12)3-7(15)8(13)17/h5,7H,3-4H2,1-2H3,(H2,13,17)(H,14,16)/t5-,7-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 263.24 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-acetamidopropanoyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 118531971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).