methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride

C6H12ClNO2 — CID 2733200

IUPACmethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyHQEIPVHJHZTMDP-JEDNCBNOSA-N
MW165.62 g/mol
LogP0.33
Rot. Bonds1

About methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride

methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 2733200) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
PubChem CID2733200
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyHQEIPVHJHZTMDP-JEDNCBNOSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride (CID 2733200) is methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is HQEIPVHJHZTMDP-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride?
methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 2733200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).