furan-2-yl 5-amino-2-methylidenepentanoate

C10H13NO3 — CID 66939654

IUPACfuran-2-yl 5-amino-2-methylidenepentanoate
SMILESC=C(CCCN)C(=O)Oc1ccco1
InChIInChI=1S/C10H13NO3/c1-8(4-2-6-11)10(12)14-9-5-3-7-13-9/h3,5,7H,1-2,4,6,11H2
InChIKeyDEPMTNSWSLTXGW-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.48
Rot. Bonds5

About furan-2-yl 5-amino-2-methylidenepentanoate

furan-2-yl 5-amino-2-methylidenepentanoate (PubChem CID 66939654) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is furan-2-yl 5-amino-2-methylidenepentanoate.

Molecular Properties

Compound Namefuran-2-yl 5-amino-2-methylidenepentanoate
PubChem CID66939654
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namefuran-2-yl 5-amino-2-methylidenepentanoate
SMILESC=C(CCCN)C(=O)Oc1ccco1
InChIInChI=1S/C10H13NO3/c1-8(4-2-6-11)10(12)14-9-5-3-7-13-9/h3,5,7H,1-2,4,6,11H2
InChIKeyDEPMTNSWSLTXGW-UHFFFAOYSA-N
XLogP1.48
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze furan-2-yl 5-amino-2-methylidenepentanoate 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 furan-2-yl 5-amino-2-methylidenepentanoate?
The IUPAC name of furan-2-yl 5-amino-2-methylidenepentanoate (CID 66939654) is furan-2-yl 5-amino-2-methylidenepentanoate.
What is the SMILES notation for furan-2-yl 5-amino-2-methylidenepentanoate?
The canonical SMILES for furan-2-yl 5-amino-2-methylidenepentanoate is C=C(CCCN)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl 5-amino-2-methylidenepentanoate?
The InChIKey is DEPMTNSWSLTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(4-2-6-11)10(12)14-9-5-3-7-13-9/h3,5,7H,1-2,4,6,11H2.
What are the key properties of furan-2-yl 5-amino-2-methylidenepentanoate?
furan-2-yl 5-amino-2-methylidenepentanoate has a molecular weight of 195.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 5-amino-2-methylidenepentanoate is sourced from PubChem (CID 66939654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).