ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate

C8H15NO3 — CID 117273935

IUPACethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CO)N1
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h6-7,9-10H,2-5H2,1H3
InChIKeyCAXAGUMVSYKWOS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.34
Rot. Bonds3

About ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate

ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 117273935) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID117273935
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CO)N1
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h6-7,9-10H,2-5H2,1H3
InChIKeyCAXAGUMVSYKWOS-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 131746053
ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
CID 90859815
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl (2R,5S)-5-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylate;hydrochloride
CID 168719738
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
CID 124671359

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 117273935) is ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCC(CO)N1.
What is the InChIKey of ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is CAXAGUMVSYKWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h6-7,9-10H,2-5H2,1H3.
What are the key properties of ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate?
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 117273935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).