methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate

C12H19F2NO3 — CID 82006240

IUPACmethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
SMILESCOC(=O)C(COCC(F)F)(NC1CC1)C1CC1
InChIInChI=1S/C12H19F2NO3/c1-17-11(16)12(8-2-3-8,15-9-4-5-9)7-18-6-10(13)14/h8-10,15H,2-7H2,1H3
InChIKeyRHUWVFSNQMOVFT-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.34
Rot. Bonds8

About methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate

methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate (PubChem CID 82006240) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
PubChem CID82006240
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
SMILESCOC(=O)C(COCC(F)F)(NC1CC1)C1CC1
InChIInChI=1S/C12H19F2NO3/c1-17-11(16)12(8-2-3-8,15-9-4-5-9)7-18-6-10(13)14/h8-10,15H,2-7H2,1H3
InChIKeyRHUWVFSNQMOVFT-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
CID 82005980
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921227
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanoate
CID 63915507
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919069

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate (CID 82006240) is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate is COC(=O)C(COCC(F)F)(NC1CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The InChIKey is RHUWVFSNQMOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c1-17-11(16)12(8-2-3-8,15-9-4-5-9)7-18-6-10(13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate has a molecular weight of 263.28 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate is sourced from PubChem (CID 82006240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).