tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate

C18H32N2O5 — CID 10915279

IUPACtert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate
SMILESCCC[C@](C)(OC)[C@H](NC(C)=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-8-11-18(6,24-7)15(19-12(2)21)13-9-10-14(22)20(13)16(23)25-17(3,4)5/h13,15H,8-11H2,1-7H3,(H,19,21)/t13-,15-,18+/m1/s1
InChIKeyLBXFBUYHWFJYHT-SIIHOXLZSA-N
MW356.46 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 10915279) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID10915279
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nametert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate
SMILESCCC[C@](C)(OC)[C@H](NC(C)=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-8-11-18(6,24-7)15(19-12(2)21)13-9-10-14(22)20(13)16(23)25-17(3,4)5/h13,15H,8-11H2,1-7H3,(H,19,21)/t13-,15-,18+/m1/s1
InChIKeyLBXFBUYHWFJYHT-SIIHOXLZSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate (CID 10915279) is tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate is CCC[C@](C)(OC)[C@H](NC(C)=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is LBXFBUYHWFJYHT-SIIHOXLZSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-8-11-18(6,24-7)15(19-12(2)21)13-9-10-14(22)20(13)16(23)25-17(3,4)5/h13,15H,8-11H2,1-7H3,(H,19,21)/t13-,15-,18+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10915279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).