methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate

C11H19F2NO2 — CID 105496040

IUPACmethyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)C(F)(F)C1CCCCCC1
InChIInChI=1S/C11H19F2NO2/c1-16-10(15)9(14)11(12,13)8-6-4-2-3-5-7-8/h8-9H,2-7,14H2,1H3
InChIKeyJTEMJYWGIQEBKG-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.09
Rot. Bonds3

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

methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate (PubChem CID 105496040) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
PubChem CID105496040
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Namemethyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
SMILESCOC(=O)C(N)C(F)(F)C1CCCCCC1
InChIInChI=1S/C11H19F2NO2/c1-16-10(15)9(14)11(12,13)8-6-4-2-3-5-7-8/h8-9H,2-7,14H2,1H3
InChIKeyJTEMJYWGIQEBKG-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
1-cyclopentyl-1,1-difluoropropan-2-amine
CID 105432155
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;trifluoromethylcyclohexane
CID 156835510
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
CID 105443001
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl (2S)-2-amino-3,3-difluoropentanoate
CID 131230044
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate?
The IUPAC name of methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate (CID 105496040) is methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate.
What is the SMILES notation for methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate?
The canonical SMILES for methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate is COC(=O)C(N)C(F)(F)C1CCCCCC1.
What is the InChIKey of methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate?
The InChIKey is JTEMJYWGIQEBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-16-10(15)9(14)11(12,13)8-6-4-2-3-5-7-8/h8-9H,2-7,14H2,1H3.
What are the key properties of methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate?
methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate has a molecular weight of 235.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate is sourced from PubChem (CID 105496040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).