methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate

C13H18N2O5 — CID 139020627

IUPACmethyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2C[C@H](O)C[C@H]2C(N)=O)oc1C
InChIInChI=1S/C13H18N2O5/c1-7-10(13(18)19-2)4-9(20-7)6-15-5-8(16)3-11(15)12(14)17/h4,8,11,16H,3,5-6H2,1-2H3,(H2,14,17)/t8-,11+/m1/s1
InChIKeyCEUBKWIBGLJNIO-KCJUWKMLSA-N
MW282.30 g/mol
LogP-0.20
Rot. Bonds4

About methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (PubChem CID 139020627) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
PubChem CID139020627
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2C[C@H](O)C[C@H]2C(N)=O)oc1C
InChIInChI=1S/C13H18N2O5/c1-7-10(13(18)19-2)4-9(20-7)6-15-5-8(16)3-11(15)12(14)17/h4,8,11,16H,3,5-6H2,1-2H3,(H2,14,17)/t8-,11+/m1/s1
InChIKeyCEUBKWIBGLJNIO-KCJUWKMLSA-N
XLogP-0.20
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate (CID 139020627) is methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN2C[C@H](O)C[C@H]2C(N)=O)oc1C.
What is the InChIKey of methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CEUBKWIBGLJNIO-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7-10(13(18)19-2)4-9(20-7)6-15-5-8(16)3-11(15)12(14)17/h4,8,11,16H,3,5-6H2,1-2H3,(H2,14,17)/t8-,11+/m1/s1.
What are the key properties of methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S,4R)-2-carbamoyl-4-hydroxypyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 139020627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).