[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C14H17NO4 — CID 2344647

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10-4-2-3-5-12(10)18-9-14(17)19-8-13(16)15-11-6-7-11/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKeyJXMSACIXKDZDHO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.20
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 2344647) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID2344647
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c1-10-4-2-3-5-12(10)18-9-14(17)19-8-13(16)15-11-6-7-11/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKeyJXMSACIXKDZDHO-UHFFFAOYSA-N
XLogP1.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.20
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] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 2344647) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is JXMSACIXKDZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-4-2-3-5-12(10)18-9-14(17)19-8-13(16)15-11-6-7-11/h2-5,11H,6-9H2,1H3,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 263.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2344647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).