[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

C15H19NO4 — CID 2406815

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C15H19NO4/c1-10-5-11(2)7-13(6-10)19-9-15(18)20-8-14(17)16-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyKYVPRAPYPOTPOC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 2406815) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID2406815
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C15H19NO4/c1-10-5-11(2)7-13(6-10)19-9-15(18)20-8-14(17)16-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyKYVPRAPYPOTPOC-UHFFFAOYSA-N
XLogP1.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
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-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (CID 2406815) is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCC(=O)NC2CC2)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is KYVPRAPYPOTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-11(2)7-13(6-10)19-9-15(18)20-8-14(17)16-12-3-4-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 277.32 g/mol, XLogP of 1.50, 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-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 2406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).