3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid

C7H11F2NO3 — CID 165464288

IUPAC3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNOCC1CC1
InChIInChI=1S/C7H11F2NO3/c8-7(9,6(11)12)4-10-13-3-5-1-2-5/h5,10H,1-4H2,(H,11,12)
InChIKeyJPZRROSYSCDLCP-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.64
Rot. Bonds6

About 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid

3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid (PubChem CID 165464288) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid
PubChem CID165464288
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNOCC1CC1
InChIInChI=1S/C7H11F2NO3/c8-7(9,6(11)12)4-10-13-3-5-1-2-5/h5,10H,1-4H2,(H,11,12)
InChIKeyJPZRROSYSCDLCP-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid (CID 165464288) is 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CNOCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid?
The InChIKey is JPZRROSYSCDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9,6(11)12)4-10-13-3-5-1-2-5/h5,10H,1-4H2,(H,11,12).
What are the key properties of 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid?
3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid has a molecular weight of 195.16 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid is sourced from PubChem (CID 165464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).