methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate

C15H26N2O3 — CID 78979276

IUPACmethyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESCCN(C(=O)CN(C)CCCC(=O)OC)C1=CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-17(13-8-5-6-9-13)14(18)12-16(2)11-7-10-15(19)20-3/h8H,4-7,9-12H2,1-3H3
InChIKeyZYJXZTYMUDKBNX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.79
Rot. Bonds8

About methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate

methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate (PubChem CID 78979276) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
PubChem CID78979276
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESCCN(C(=O)CN(C)CCCC(=O)OC)C1=CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-17(13-8-5-6-9-13)14(18)12-16(2)11-7-10-15(19)20-3/h8H,4-7,9-12H2,1-3H3
InChIKeyZYJXZTYMUDKBNX-UHFFFAOYSA-N
XLogP1.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate (CID 78979276) is methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate is CCN(C(=O)CN(C)CCCC(=O)OC)C1=CCCC1.
What is the InChIKey of methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate?
The InChIKey is ZYJXZTYMUDKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17(13-8-5-6-9-13)14(18)12-16(2)11-7-10-15(19)20-3/h8H,4-7,9-12H2,1-3H3.
What are the key properties of methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate?
methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate has a molecular weight of 282.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 78979276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).