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

C13H22N2O3 — CID 54900337

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-14(10-13(17)18)9-12(16)15(4-2)11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3,(H,17,18)
InChIKeyCSAKOAZVUAJDIW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.31
Rot. Bonds7

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

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 54900337) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
PubChem CID54900337
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1
InChIInChI=1S/C13H22N2O3/c1-3-14(10-13(17)18)9-12(16)15(4-2)11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3,(H,17,18)
InChIKeyCSAKOAZVUAJDIW-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

Analyze 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid (CID 54900337) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)N(CC)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is CSAKOAZVUAJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-14(10-13(17)18)9-12(16)15(4-2)11-7-5-6-8-11/h7H,3-6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic 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 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 54900337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).