3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid

C13H22N2O3 — CID 61011314

IUPAC3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-15(9-8-13(17)18)10-12(16)14(2)11-6-4-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,17,18)
InChIKeyUOLOEUGGVQEMGO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.31
Rot. Bonds7

About 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid

3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid (PubChem CID 61011314) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
PubChem CID61011314
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-15(9-8-13(17)18)10-12(16)14(2)11-6-4-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,17,18)
InChIKeyUOLOEUGGVQEMGO-UHFFFAOYSA-N
XLogP1.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid (CID 61011314) is 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)CC(=O)N(C)C1=CCCC1.
What is the InChIKey of 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid?
The InChIKey is UOLOEUGGVQEMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-15(9-8-13(17)18)10-12(16)14(2)11-6-4-5-7-11/h6H,3-5,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid?
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61011314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).