2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid

C8H11F2NO3 — CID 103513145

IUPAC2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
SMILESCC(NC(=O)C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H11F2NO3/c1-8(7(13)14,4-2-3-4)11-6(12)5(9)10/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyORAQZDMDSUJSHJ-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.62
Rot. Bonds4

About 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid

2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid (PubChem CID 103513145) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
PubChem CID103513145
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
SMILESCC(NC(=O)C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H11F2NO3/c1-8(7(13)14,4-2-3-4)11-6(12)5(9)10/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyORAQZDMDSUJSHJ-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid (CID 103513145) is 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid is CC(NC(=O)C(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid?
The InChIKey is ORAQZDMDSUJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-8(7(13)14,4-2-3-4)11-6(12)5(9)10/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid?
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid has a molecular weight of 207.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 103513145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).