ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate

C13H16N2O6 — CID 50924461

IUPACethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1COC(=O)C(N)CO
InChIInChI=1S/C13H16N2O6/c1-2-19-13(18)10-5-11-9(3-4-20-11)15(10)7-21-12(17)8(14)6-16/h3-5,8,16H,2,6-7,14H2,1H3
InChIKeyCNGKWDYJFSLRBB-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.23
Rot. Bonds6

About ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924461) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924461
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Nameethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1COC(=O)C(N)CO
InChIInChI=1S/C13H16N2O6/c1-2-19-13(18)10-5-11-9(3-4-20-11)15(10)7-21-12(17)8(14)6-16/h3-5,8,16H,2,6-7,14H2,1H3
InChIKeyCNGKWDYJFSLRBB-UHFFFAOYSA-N
XLogP0.23
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 50924461) is ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1COC(=O)C(N)CO.
What is the InChIKey of ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CNGKWDYJFSLRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-2-19-13(18)10-5-11-9(3-4-20-11)15(10)7-21-12(17)8(14)6-16/h3-5,8,16H,2,6-7,14H2,1H3.
What are the key properties of ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).