[(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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Related Compounds

(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
(1-carbamoylpyrrolidin-2-yl)methyl 3-bromobenzoate
CID 71987943
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
(1-carbamoylpyrrolidin-2-yl)methyl 5-acetyl-2,6-dimethylpyridine-3-carboxylate
CID 86801458
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 99812799
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338

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).