methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride

C6H12ClNO2 — CID 46907954

IUPACmethyl (3R)-pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCNC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKeyVVBSXSVVMNGQIN-NUBCRITNSA-N
MW165.62 g/mol
LogP0.19
Rot. Bonds1

About methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride

methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 46907954) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-pyrrolidine-3-carboxylate;hydrochloride
PubChem CID46907954
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl (3R)-pyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCNC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKeyVVBSXSVVMNGQIN-NUBCRITNSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
5-Oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 13118117
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
Methyl 2-oxopyrrolidine-3-carboxylate
CID 4738123
Ethyl pyrrolidine-3-carboxylate hydrochloride
CID 12896003
Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
Ethyl pyrrolidine-3-carboxylate
CID 12896002
Methyl pyrrolidine-3-carboxylate hydrochloride
CID 19261352

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride (CID 46907954) is methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1CCNC1.Cl.
What is the InChIKey of methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is VVBSXSVVMNGQIN-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1.
What are the key properties of methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride?
methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 46907954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).