methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate

C7H11F2NO2 — CID 105437831

IUPACmethyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)(C(F)F)C1CC1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)7(10,5(8)9)4-2-3-4/h4-5H,2-3,10H2,1H3
InChIKeyVTLLGVICQHICJD-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.53
Rot. Bonds3

About methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate

methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate (PubChem CID 105437831) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
PubChem CID105437831
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namemethyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)(C(F)F)C1CC1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)7(10,5(8)9)4-2-3-4/h4-5H,2-3,10H2,1H3
InChIKeyVTLLGVICQHICJD-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate (CID 105437831) is methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate is COC(=O)C(N)(C(F)F)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate?
The InChIKey is VTLLGVICQHICJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-12-6(11)7(10,5(8)9)4-2-3-4/h4-5H,2-3,10H2,1H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate?
methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate has a molecular weight of 179.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate is sourced from PubChem (CID 105437831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).