ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride

C15H20ClNO4 — CID 131746053

IUPACethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC[C@H](COC(=O)c2ccccc2)N1.Cl
InChIInChI=1S/C15H19NO4.ClH/c1-2-19-15(18)13-9-8-12(16-13)10-20-14(17)11-6-4-3-5-7-11;/h3-7,12-13,16H,2,8-10H2,1H3;1H/t12-,13?;/m1./s1
InChIKeyXCPRLKZDTQBJAG-QPWPOBFOSA-N
MW313.78 g/mol
LogP1.95
Rot. Bonds5

About ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride

ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 131746053) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID131746053
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Nameethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC[C@H](COC(=O)c2ccccc2)N1.Cl
InChIInChI=1S/C15H19NO4.ClH/c1-2-19-15(18)13-9-8-12(16-13)10-20-14(17)11-6-4-3-5-7-11;/h3-7,12-13,16H,2,8-10H2,1H3;1H/t12-,13?;/m1./s1
InChIKeyXCPRLKZDTQBJAG-QPWPOBFOSA-N
XLogP1.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl (2R,5S)-5-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylate;hydrochloride
CID 168719738
CID 158970570
CID 158970570
ethyl (2S,5R)-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate
CID 10776114
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate
CID 10681020
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride (CID 131746053) is ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride is CCOC(=O)C1CC[C@H](COC(=O)c2ccccc2)N1.Cl.
What is the InChIKey of ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is XCPRLKZDTQBJAG-QPWPOBFOSA-N. The full InChI is InChI=1S/C15H19NO4.ClH/c1-2-19-15(18)13-9-8-12(16-13)10-20-14(17)11-6-4-3-5-7-11;/h3-7,12-13,16H,2,8-10H2,1H3;1H/t12-,13?;/m1./s1.
What are the key properties of ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 131746053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).