dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate

C9H15NO5 — CID 102334991

IUPACdimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(=O)OC)N(O)[C@@H]1C
InChIInChI=1S/C9H15NO5/c1-5-6(8(11)14-2)4-7(10(5)13)9(12)15-3/h5-7,13H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKeyZVMXYQUTATVLEV-QYNIQEEDSA-N
MW217.22 g/mol
LogP-0.20
Rot. Bonds2

About dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate

dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate (PubChem CID 102334991) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate
PubChem CID102334991
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namedimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(=O)OC)N(O)[C@@H]1C
InChIInChI=1S/C9H15NO5/c1-5-6(8(11)14-2)4-7(10(5)13)9(12)15-3/h5-7,13H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKeyZVMXYQUTATVLEV-QYNIQEEDSA-N
XLogP-0.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate (CID 102334991) is dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@@H]1C[C@@H](C(=O)OC)N(O)[C@@H]1C.
What is the InChIKey of dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate?
The InChIKey is ZVMXYQUTATVLEV-QYNIQEEDSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5-6(8(11)14-2)4-7(10(5)13)9(12)15-3/h5-7,13H,4H2,1-3H3/t5-,6-,7+/m1/s1.
What are the key properties of dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate?
dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate has a molecular weight of 217.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R,5R)-1-hydroxy-5-methylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 102334991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).