2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid

C10H17F2NO3 — CID 82006585

IUPAC2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
SMILESCC(CCOCC(F)F)(NC1CC1)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-10(9(14)15,13-7-2-3-7)4-5-16-6-8(11)12/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyGZIOTYLMIDYVOQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.25
Rot. Bonds8

About 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid

2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid (PubChem CID 82006585) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
PubChem CID82006585
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
SMILESCC(CCOCC(F)F)(NC1CC1)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-10(9(14)15,13-7-2-3-7)4-5-16-6-8(11)12/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyGZIOTYLMIDYVOQ-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylbutanoic acid
CID 62785439
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
CID 102722876
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid (CID 82006585) is 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid is CC(CCOCC(F)F)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid?
The InChIKey is GZIOTYLMIDYVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-10(9(14)15,13-7-2-3-7)4-5-16-6-8(11)12/h7-8,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid?
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid is sourced from PubChem (CID 82006585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).