ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate

C17H26N2O5 — CID 58134149

IUPACethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1COCCOC[C@H](N)C(C)C
InChIInChI=1S/C17H26N2O5/c1-4-23-17(20)15-9-16-14(5-6-24-16)19(15)11-22-8-7-21-10-13(18)12(2)3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyXEXKFXMGRMQLQO-ZDUSSCGKSA-N
MW338.40 g/mol
LogP2.38
Rot. Bonds10

About ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58134149) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58134149
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nameethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1COCCOC[C@H](N)C(C)C
InChIInChI=1S/C17H26N2O5/c1-4-23-17(20)15-9-16-14(5-6-24-16)19(15)11-22-8-7-21-10-13(18)12(2)3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyXEXKFXMGRMQLQO-ZDUSSCGKSA-N
XLogP2.38
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate 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 ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 58134149) is ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1COCCOC[C@H](N)C(C)C.
What is the InChIKey of ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is XEXKFXMGRMQLQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-4-23-17(20)15-9-16-14(5-6-24-16)19(15)11-22-8-7-21-10-13(18)12(2)3/h5-6,9,12-13H,4,7-8,10-11,18H2,1-3H3/t13-/m0/s1.
What are the key properties of ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 338.40 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58134149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).