ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate

C14H24N2O5 — CID 54537755

IUPACethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H24N2O5/c1-6-20-11(17)8-16-9(2)7-10(12(16)18)15-13(19)21-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1
InChIKeyZAZVACUNVDOECL-ZJUUUORDSA-N
MW300.36 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate (PubChem CID 54537755) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate
PubChem CID54537755
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nameethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C14H24N2O5/c1-6-20-11(17)8-16-9(2)7-10(12(16)18)15-13(19)21-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1
InChIKeyZAZVACUNVDOECL-ZJUUUORDSA-N
XLogP1.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate (CID 54537755) is ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C.
What is the InChIKey of ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is ZAZVACUNVDOECL-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-6-20-11(17)8-16-9(2)7-10(12(16)18)15-13(19)21-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1.
What are the key properties of ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 300.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,5R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 54537755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).