methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate

C13H20N2O4 — CID 58985043

IUPACmethyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
SMILESCCO[C@H]1CCN[C@@H]1c1ncc(CCC(=O)OC)o1
InChIInChI=1S/C13H20N2O4/c1-3-18-10-6-7-14-12(10)13-15-8-9(19-13)4-5-11(16)17-2/h8,10,12,14H,3-7H2,1-2H3/t10-,12-/m0/s1
InChIKeyRHSODFSQYONYOP-JQWIXIFHSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds6

About methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate

methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate (PubChem CID 58985043) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
PubChem CID58985043
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate
SMILESCCO[C@H]1CCN[C@@H]1c1ncc(CCC(=O)OC)o1
InChIInChI=1S/C13H20N2O4/c1-3-18-10-6-7-14-12(10)13-15-8-9(19-13)4-5-11(16)17-2/h8,10,12,14H,3-7H2,1-2H3/t10-,12-/m0/s1
InChIKeyRHSODFSQYONYOP-JQWIXIFHSA-N
XLogP1.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate (CID 58985043) is methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate is CCO[C@H]1CCN[C@@H]1c1ncc(CCC(=O)OC)o1.
What is the InChIKey of methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
The InChIKey is RHSODFSQYONYOP-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-18-10-6-7-14-12(10)13-15-8-9(19-13)4-5-11(16)17-2/h8,10,12,14H,3-7H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate?
methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 58985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).