[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate

C13H18N2O4 — CID 96502541

IUPAC[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OC[C@H]2CCCN2C(N)=O)o1
InChIInChI=1S/C13H18N2O4/c1-2-10-5-6-11(19-10)12(16)18-8-9-4-3-7-15(9)13(14)17/h5-6,9H,2-4,7-8H2,1H3,(H2,14,17)/t9-/m1/s1
InChIKeyKIDWMJLVQLDQFD-SECBINFHSA-N
MW266.30 g/mol
LogP1.54
Rot. Bonds4

About [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate

[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate (PubChem CID 96502541) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate
PubChem CID96502541
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OC[C@H]2CCCN2C(N)=O)o1
InChIInChI=1S/C13H18N2O4/c1-2-10-5-6-11(19-10)12(16)18-8-9-4-3-7-15(9)13(14)17/h5-6,9H,2-4,7-8H2,1H3,(H2,14,17)/t9-/m1/s1
InChIKeyKIDWMJLVQLDQFD-SECBINFHSA-N
XLogP1.54
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate?
The IUPAC name of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate (CID 96502541) is [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate.
What is the SMILES notation for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate?
The canonical SMILES for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate is CCc1ccc(C(=O)OC[C@H]2CCCN2C(N)=O)o1.
What is the InChIKey of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate?
The InChIKey is KIDWMJLVQLDQFD-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-10-5-6-11(19-10)12(16)18-8-9-4-3-7-15(9)13(14)17/h5-6,9H,2-4,7-8H2,1H3,(H2,14,17)/t9-/m1/s1.
What are the key properties of [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate?
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate is sourced from PubChem (CID 96502541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).