ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate

C14H24N2O3 — CID 62010863

IUPACethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-4-19-14(18)9-10-15(2)11-13(17)16(3)12-7-5-6-8-12/h7H,4-6,8-11H2,1-3H3
InChIKeySLJXZFIQTKOVEH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds7

About ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate

ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 62010863) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
PubChem CID62010863
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C14H24N2O3/c1-4-19-14(18)9-10-15(2)11-13(17)16(3)12-7-5-6-8-12/h7H,4-6,8-11H2,1-3H3
InChIKeySLJXZFIQTKOVEH-UHFFFAOYSA-N
XLogP1.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979172
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61011314
N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
CID 115877302
methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
CID 78979276
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
methyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-cyclopentylamino]acetate
CID 80718028
N-(cyclopenten-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115640803
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011450
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 78989130
ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
CID 62011647
2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
CID 101200162

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate (CID 62010863) is ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate is CCOC(=O)CCN(C)CC(=O)N(C)C1=CCCC1.
What is the InChIKey of ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is SLJXZFIQTKOVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-19-14(18)9-10-15(2)11-13(17)16(3)12-7-5-6-8-12/h7H,4-6,8-11H2,1-3H3.
What are the key properties of ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate?
ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 268.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62010863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).