[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate

C16H19NO3 — CID 2355331

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NC1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(17-14-8-4-5-9-14)12-20-16(19)11-10-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,17,18)/b11-10+
InChIKeyOSNJNQSDZAZZBX-ZHACJKMWSA-N
MW273.33 g/mol
LogP2.30
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate

[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate (PubChem CID 2355331) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
PubChem CID2355331
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NC1CCCC1
InChIInChI=1S/C16H19NO3/c18-15(17-14-8-4-5-9-14)12-20-16(19)11-10-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,17,18)/b11-10+
InChIKeyOSNJNQSDZAZZBX-ZHACJKMWSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate (CID 2355331) is [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is OSNJNQSDZAZZBX-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(17-14-8-4-5-9-14)12-20-16(19)11-10-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,17,18)/b11-10+.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate?
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 273.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 2355331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).