methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate

C14H19NO4 — CID 54918830

IUPACmethyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-17-10-6-7-12(18-2)11(8-10)13(14(16)19-3)15-9-4-5-9/h6-9,13,15H,4-5H2,1-3H3
InChIKeyIJBBGSPXYABNAC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.67
Rot. Bonds6

About methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate

methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate (PubChem CID 54918830) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
PubChem CID54918830
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
SMILESCOC(=O)C(NC1CC1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-17-10-6-7-12(18-2)11(8-10)13(14(16)19-3)15-9-4-5-9/h6-9,13,15H,4-5H2,1-3H3
InChIKeyIJBBGSPXYABNAC-UHFFFAOYSA-N
XLogP1.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
methyl 3-(2,5-dimethoxyphenyl)-2-hydroxybutanoate
CID 66289214
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
CID 60796181
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate (CID 54918830) is methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate is COC(=O)C(NC1CC1)c1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate?
The InChIKey is IJBBGSPXYABNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-10-6-7-12(18-2)11(8-10)13(14(16)19-3)15-9-4-5-9/h6-9,13,15H,4-5H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate?
methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 54918830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).