[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C15H19NO4 — CID 7871136

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C15H19NO4/c1-19-13-5-3-2-4-11(13)6-9-15(18)20-10-14(17)16-12-7-8-12/h2-5,12H,6-10H2,1H3,(H,16,17)
InChIKeyVYGPTQQCHOMDAZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.45
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 7871136) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID7871136
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C15H19NO4/c1-19-13-5-3-2-4-11(13)6-9-15(18)20-10-14(17)16-12-7-8-12/h2-5,12H,6-10H2,1H3,(H,16,17)
InChIKeyVYGPTQQCHOMDAZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 7871136) is [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is VYGPTQQCHOMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-5-3-2-4-11(13)6-9-15(18)20-10-14(17)16-12-7-8-12/h2-5,12H,6-10H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 277.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).