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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Related Compounds

methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447
methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
CID 84659219
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
ethyl 4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylate
CID 114486732
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562

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).