ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate

C14H24N2O5 — CID 135312242

IUPACethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(N(C)C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H24N2O5/c1-6-20-11(17)9-16-8-7-10(12(16)18)15(5)13(19)21-14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyGRVXFPKCHWWCBK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate (PubChem CID 135312242) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate
PubChem CID135312242
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(N(C)C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H24N2O5/c1-6-20-11(17)9-16-8-7-10(12(16)18)15(5)13(19)21-14(2,3)4/h10H,6-9H2,1-5H3
InChIKeyGRVXFPKCHWWCBK-UHFFFAOYSA-N
XLogP1.02
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate (CID 135312242) is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1CCC(N(C)C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is GRVXFPKCHWWCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-6-20-11(17)9-16-8-7-10(12(16)18)15(5)13(19)21-14(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 300.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 135312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).