ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate

C13H23NO3 — CID 65212983

IUPACethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1(O)CCCC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)11-6-5-9-14(11)10-13(16)7-3-4-8-13/h11,16H,2-10H2,1H3
InChIKeyDEWJWORHFOCWHM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.32
Rot. Bonds4

About ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate

ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 65212983) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate
PubChem CID65212983
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1(O)CCCC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)11-6-5-9-14(11)10-13(16)7-3-4-8-13/h11,16H,2-10H2,1H3
InChIKeyDEWJWORHFOCWHM-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 64689351
(2S,4R)-4-(tert-butoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 167742746
tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 80709743
4-Fluoro-1-[1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylic acid
CID 89814834
2-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 83080192
Lezokpiztaiyey-yumqzzprsa-
CID 21681666
(2S)-1-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]pyrrolidine-2-carboxylic acid
CID 18635477
Methyl 4-hydroxy-1,4-dimethylpyrrolidine-2-carboxylate
CID 21301037
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 54499637
Methyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate
CID 57632704
cyclopentyl (2S)-1-tert-butylpyrrolidine-2-carboxylate
CID 57658475
Methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate
CID 58171946

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate (CID 65212983) is ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC1(O)CCCC1.
What is the InChIKey of ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is DEWJWORHFOCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-12(15)11-6-5-9-14(11)10-13(16)7-3-4-8-13/h11,16H,2-10H2,1H3.
What are the key properties of ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 65212983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).