methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride

C7H14ClNO2 — CID 71306205

IUPACmethyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(C)CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10-2)4-3-5-8-7;/h8H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyYCYWAVUCBMJUPK-OGFXRTJISA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds1

About methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride

methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride (PubChem CID 71306205) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride
PubChem CID71306205
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(C)CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(6(9)10-2)4-3-5-8-7;/h8H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyYCYWAVUCBMJUPK-OGFXRTJISA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride (CID 71306205) is methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@]1(C)CCCN1.Cl.
What is the InChIKey of methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is YCYWAVUCBMJUPK-OGFXRTJISA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(6(9)10-2)4-3-5-8-7;/h8H,3-5H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride?
methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methylpyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 71306205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).