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

C7H14ClNO3 — CID 55254182

IUPACmethyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-5-3-6(8-4-5)7(9)11-2;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
InChIKeyMDQRVWFFHPYBJV-IBTYICNHSA-N
MW195.65 g/mol
LogP-0.04
Rot. Bonds2

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

methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 55254182) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID55254182
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-5-3-6(8-4-5)7(9)11-2;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
InChIKeyMDQRVWFFHPYBJV-IBTYICNHSA-N
XLogP-0.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride (CID 55254182) is methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@@H](OC)CN1.Cl.
What is the InChIKey of methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is MDQRVWFFHPYBJV-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-10-5-3-6(8-4-5)7(9)11-2;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1.
What are the key properties of methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-methoxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 55254182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).