2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid

C9H13F2NO3 — CID 167170257

IUPAC2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid
SMILESCC(F)(F)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C9H13F2NO3/c1-8(7(14)15,5-3-4-5)12-6(13)9(2,10)11/h5H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDPLNAGHJQPTJSV-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.01
Rot. Bonds4

About 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid

2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid (PubChem CID 167170257) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid
PubChem CID167170257
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid
SMILESCC(F)(F)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C9H13F2NO3/c1-8(7(14)15,5-3-4-5)12-6(13)9(2,10)11/h5H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDPLNAGHJQPTJSV-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid (CID 167170257) is 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid is CC(F)(F)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid?
The InChIKey is DPLNAGHJQPTJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c1-8(7(14)15,5-3-4-5)12-6(13)9(2,10)11/h5H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid?
2-cyclopropyl-2-(2,2-difluoropropanoylamino)propanoic acid has a molecular weight of 221.20 g/mol, XLogP of 1.01, 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-difluoropropanoylamino)propanoic acid is sourced from PubChem (CID 167170257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).