2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid

C11H19F2NO3 — CID 82007448

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COCC(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F2NO3/c1-2-5-14-11(10(15)16,8-3-4-8)7-17-6-9(12)13/h8-9,14H,2-7H2,1H3,(H,15,16)
InChIKeyCOWLKBIHIRLJBD-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.50
Rot. Bonds9

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid (PubChem CID 82007448) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
PubChem CID82007448
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
SMILESCCCNC(COCC(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F2NO3/c1-2-5-14-11(10(15)16,8-3-4-8)7-17-6-9(12)13/h8-9,14H,2-7H2,1H3,(H,15,16)
InChIKeyCOWLKBIHIRLJBD-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
CID 82005980
2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
CID 63920746
2-cyclopropyl-3-(2-methylpentoxy)-2-(propylamino)propanamide
CID 103285031
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82006240
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
CID 82959915
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid (CID 82007448) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid is CCCNC(COCC(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid?
The InChIKey is COWLKBIHIRLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-2-5-14-11(10(15)16,8-3-4-8)7-17-6-9(12)13/h8-9,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid has a molecular weight of 251.27 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid is sourced from PubChem (CID 82007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).