methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate

C11H20N2O2 — CID 106173530

IUPACmethyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate
SMILESCOC(=O)C(CN)NCCC1=CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(8-12)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8,12H2,1H3
InChIKeyPFBSJJSGLQIBCE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds6

About methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate

methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate (PubChem CID 106173530) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate
PubChem CID106173530
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate
SMILESCOC(=O)C(CN)NCCC1=CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)10(8-12)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8,12H2,1H3
InChIKeyPFBSJJSGLQIBCE-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate 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 methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate (CID 106173530) is methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate is COC(=O)C(CN)NCCC1=CCCC1.
What is the InChIKey of methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate?
The InChIKey is PFBSJJSGLQIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)10(8-12)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8,12H2,1H3.
What are the key properties of methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate?
methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate has a molecular weight of 212.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[2-(cyclopenten-1-yl)ethylamino]propanoate is sourced from PubChem (CID 106173530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).