methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate

C15H21NO5 — CID 60797315

IUPACmethyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-18-11-7-9(8-12(19-2)14(11)20-3)13(15(17)21-4)16-10-5-6-10/h7-8,10,13,16H,5-6H2,1-4H3
InChIKeyAAOUIBIYKKWAKQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.68
Rot. Bonds7

About methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate

methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 60797315) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID60797315
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-18-11-7-9(8-12(19-2)14(11)20-3)13(15(17)21-4)16-10-5-6-10/h7-8,10,13,16H,5-6H2,1-4H3
InChIKeyAAOUIBIYKKWAKQ-UHFFFAOYSA-N
XLogP1.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
CID 60796181
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
[2-methoxy-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
CID 23378435
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
2-(cycloheptylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60997345

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate (CID 60797315) is methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate is COC(=O)C(NC1CC1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is AAOUIBIYKKWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-18-11-7-9(8-12(19-2)14(11)20-3)13(15(17)21-4)16-10-5-6-10/h7-8,10,13,16H,5-6H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate?
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 295.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 60797315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).