methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride

C8H16ClNO4 — CID 155821210

IUPACmethyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NC[C@@H](OC)[C@H]1OC.Cl
InChIInChI=1S/C8H15NO4.ClH/c1-11-5-4-9-6(7(5)12-2)8(10)13-3;/h5-7,9H,4H2,1-3H3;1H/t5-,6-,7-;/m1./s1
InChIKeyBVXBDYUMIRGPTF-RYLOHDEPSA-N
MW225.67 g/mol
LogP-0.42
Rot. Bonds3

About methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride

methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 155821210) has the molecular formula C8H16ClNO4 and a molecular weight of 225.67 g/mol. Its IUPAC name is methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID155821210
Molecular FormulaC8H16ClNO4
Molecular Weight225.67 g/mol
Exact Mass225.08
IUPAC Namemethyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1NC[C@@H](OC)[C@H]1OC.Cl
InChIInChI=1S/C8H15NO4.ClH/c1-11-5-4-9-6(7(5)12-2)8(10)13-3;/h5-7,9H,4H2,1-3H3;1H/t5-,6-,7-;/m1./s1
InChIKeyBVXBDYUMIRGPTF-RYLOHDEPSA-N
XLogP-0.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride (CID 155821210) is methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1NC[C@@H](OC)[C@H]1OC.Cl.
What is the InChIKey of methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is BVXBDYUMIRGPTF-RYLOHDEPSA-N. The full InChI is InChI=1S/C8H15NO4.ClH/c1-11-5-4-9-6(7(5)12-2)8(10)13-3;/h5-7,9H,4H2,1-3H3;1H/t5-,6-,7-;/m1./s1.
What are the key properties of methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 225.67 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155821210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).