methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate

C10H17F2NO3 — CID 103080619

IUPACmethyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate
SMILESCOC(=O)C(NCCOCC(F)F)C1CC1
InChIInChI=1S/C10H17F2NO3/c1-15-10(14)9(7-2-3-7)13-4-5-16-6-8(11)12/h7-9,13H,2-6H2,1H3
InChIKeyOZLRLAUAZGKNHM-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.81
Rot. Bonds8

About methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate

methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate (PubChem CID 103080619) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate
PubChem CID103080619
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate
SMILESCOC(=O)C(NCCOCC(F)F)C1CC1
InChIInChI=1S/C10H17F2NO3/c1-15-10(14)9(7-2-3-7)13-4-5-16-6-8(11)12/h7-9,13H,2-6H2,1H3
InChIKeyOZLRLAUAZGKNHM-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Isoleucine, N-(heptafluorobutyryl) propyl ester
CID 6421031
l-Isoleucine, n-pentafluoropropionyl-, ethyl ester
CID 12647419
l-Leucine, n-heptafluorobutyryl-, isobutyl ester
CID 13743571
l-Isoleucine, n-pentafluoropropionyl-, propyl ester
CID 13783250
l-Leucine, n-pentafluoropropionyl-, propyl ester
CID 13783252
L-Leucine, N-(trifluoroacetyl)-, butyl ester
CID 13783315
l-Leucine, n-pentafluoropropionyl-, butyl ester
CID 85984509
l-Leucine, n-heptafluorobutyryl-, butyl ester
CID 86238553
l-Leucine. n-pentafluoropropionyl-, isobutyl ester
CID 86238579
l-Isoleucine, n-heptafluorobutyryl-, ethyl ester
CID 86238585
l-Leucine, n-heptafluorobutyryl-, ethyl ester
CID 86238589
l-Isoleucine, n-pentafluoropropionyl-, isobutyl ester
CID 86238619

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate (CID 103080619) is methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate is COC(=O)C(NCCOCC(F)F)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate?
The InChIKey is OZLRLAUAZGKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-15-10(14)9(7-2-3-7)13-4-5-16-6-8(11)12/h7-9,13H,2-6H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate?
methyl 2-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethylamino]acetate has a molecular weight of 237.25 g/mol, XLogP of 0.81, 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-[2-(2,2-difluoroethoxy)ethylamino]acetate is sourced from PubChem (CID 103080619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).