2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C15H26N2O3 — CID 78924041

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)CC(C)C)C1=CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-17(13-7-5-6-8-13)14(18)10-16(9-12(2)3)11-15(19)20/h7,12H,4-6,8-11H2,1-3H3,(H,19,20)
InChIKeySQFORYDGFJSIIH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.95
Rot. Bonds8

About 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 78924041) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID78924041
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)CC(C)C)C1=CCCC1
InChIInChI=1S/C15H26N2O3/c1-4-17(13-7-5-6-8-13)14(18)10-16(9-12(2)3)11-15(19)20/h7,12H,4-6,8-11H2,1-3H3,(H,19,20)
InChIKeySQFORYDGFJSIIH-UHFFFAOYSA-N
XLogP1.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 78924041) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is CCN(C(=O)CN(CC(=O)O)CC(C)C)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is SQFORYDGFJSIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17(13-7-5-6-8-13)14(18)10-16(9-12(2)3)11-15(19)20/h7,12H,4-6,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 78924041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).