methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride

C9H16ClNO2 — CID 155905262

IUPACmethyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNC[C@@H]1C1CC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)8-5-10-4-7(8)6-2-3-6;/h6-8,10H,2-5H2,1H3;1H/t7-,8+;/m1./s1
InChIKeySQZFGRAFYOLNEG-WLYNEOFISA-N
MW205.68 g/mol
LogP0.83
Rot. Bonds2

About methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride

methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 155905262) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID155905262
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNC[C@@H]1C1CC1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)8-5-10-4-7(8)6-2-3-6;/h6-8,10H,2-5H2,1H3;1H/t7-,8+;/m1./s1
InChIKeySQZFGRAFYOLNEG-WLYNEOFISA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride (CID 155905262) is methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride is COC(=O)[C@H]1CNC[C@@H]1C1CC1.Cl.
What is the InChIKey of methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is SQZFGRAFYOLNEG-WLYNEOFISA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-9(11)8-5-10-4-7(8)6-2-3-6;/h6-8,10H,2-5H2,1H3;1H/t7-,8+;/m1./s1.
What are the key properties of methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride?
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155905262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).