(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate

C11H19F3N2O3 — CID 135320990

IUPAC(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate
SMILESCC[C@@](C)(F)[C@H](N)C(=O)OC(=O)C(N)C(C)C(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-11(3,14)7(16)10(18)19-9(17)6(15)5(2)8(12)13/h5-8H,4,15-16H2,1-3H3/t5?,6?,7-,11-/m1/s1
InChIKeyNXAQMOFSKSBHMB-LRIQFXKISA-N
MW284.28 g/mol
LogP0.75
Rot. Bonds6

About (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate

(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate (PubChem CID 135320990) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate.

Molecular Properties

Compound Name(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate
PubChem CID135320990
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate
SMILESCC[C@@](C)(F)[C@H](N)C(=O)OC(=O)C(N)C(C)C(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-11(3,14)7(16)10(18)19-9(17)6(15)5(2)8(12)13/h5-8H,4,15-16H2,1-3H3/t5?,6?,7-,11-/m1/s1
InChIKeyNXAQMOFSKSBHMB-LRIQFXKISA-N
XLogP0.75
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate?
The IUPAC name of (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate (CID 135320990) is (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate.
What is the SMILES notation for (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate?
The canonical SMILES for (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate is CC[C@@](C)(F)[C@H](N)C(=O)OC(=O)C(N)C(C)C(F)F.
What is the InChIKey of (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate?
The InChIKey is NXAQMOFSKSBHMB-LRIQFXKISA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-11(3,14)7(16)10(18)19-9(17)6(15)5(2)8(12)13/h5-8H,4,15-16H2,1-3H3/t5?,6?,7-,11-/m1/s1.
What are the key properties of (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate?
(2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate has a molecular weight of 284.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,4-difluoro-3-methylbutanoyl) (2R,3R)-2-amino-3-fluoro-3-methylpentanoate is sourced from PubChem (CID 135320990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).