1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate

C14H23NO6 — CID 11141142

IUPAC1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(18)15-9(11(17)20-6)7-8(10(15)16)14(4,5)19/h8-9,19H,7H2,1-6H3/t8-,9+/m1/s1
InChIKeyNYBYHVLHLRFCTR-BDAKNGLRSA-N
MW301.34 g/mol
LogP1.08
Rot. Bonds2

About 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11141142) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11141142
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(18)15-9(11(17)20-6)7-8(10(15)16)14(4,5)19/h8-9,19H,7H2,1-6H3/t8-,9+/m1/s1
InChIKeyNYBYHVLHLRFCTR-BDAKNGLRSA-N
XLogP1.08
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate (CID 11141142) is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is NYBYHVLHLRFCTR-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)21-12(18)15-9(11(17)20-6)7-8(10(15)16)14(4,5)19/h8-9,19H,7H2,1-6H3/t8-,9+/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11141142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).