2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid

C11H19F2NO3 — CID 82005980

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COCC(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F2NO3/c1-7(2)14-11(10(15)16,8-3-4-8)6-17-5-9(12)13/h7-9,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyXRFODUZVRVUAKA-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.50
Rot. Bonds8

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid (PubChem CID 82005980) 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-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
PubChem CID82005980
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COCC(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C11H19F2NO3/c1-7(2)14-11(10(15)16,8-3-4-8)6-17-5-9(12)13/h7-9,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyXRFODUZVRVUAKA-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(propylamino)propanoic acid
CID 82007448
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82006240
2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 63918609
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid (CID 82005980) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(COCC(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is XRFODUZVRVUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-7(2)14-11(10(15)16,8-3-4-8)6-17-5-9(12)13/h7-9,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 251.27 g/mol, XLogP of 1.50, 8 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-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 82005980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).