dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

C8H13NO5 — CID 10375601

IUPACdimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC
InChIInChI=1S/C8H13NO5/c1-13-7(11)6-3-5(10)4-9(6)8(12)14-2/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyIHSUUODRNBYZSQ-RITPCOANSA-N
MW203.19 g/mol
LogP-0.64
Rot. Bonds1

About dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 10375601) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID10375601
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namedimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC
InChIInChI=1S/C8H13NO5/c1-13-7(11)6-3-5(10)4-9(6)8(12)14-2/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyIHSUUODRNBYZSQ-RITPCOANSA-N
XLogP-0.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl (2S,4R)-4-hydroxypyrrolidine-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 dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 10375601) is dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC.
What is the InChIKey of dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is IHSUUODRNBYZSQ-RITPCOANSA-N. The full InChI is InChI=1S/C8H13NO5/c1-13-7(11)6-3-5(10)4-9(6)8(12)14-2/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 203.19 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 10375601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).