methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate

C12H21NO4 — CID 166137248

IUPACmethyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate
SMILESCOC(=O)CCOC1CN2CCCC2(CO)C1
InChIInChI=1S/C12H21NO4/c1-16-11(15)3-6-17-10-7-12(9-14)4-2-5-13(12)8-10/h10,14H,2-9H2,1H3
InChIKeyKESVWLWITFPAKC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.17
Rot. Bonds5

About methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate

methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate (PubChem CID 166137248) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate
PubChem CID166137248
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate
SMILESCOC(=O)CCOC1CN2CCCC2(CO)C1
InChIInChI=1S/C12H21NO4/c1-16-11(15)3-6-17-10-7-12(9-14)4-2-5-13(12)8-10/h10,14H,2-9H2,1H3
InChIKeyKESVWLWITFPAKC-UHFFFAOYSA-N
XLogP0.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate with MolForge

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Related Compounds

ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164521802
[(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169255267
tert-butyl 1-[[3-[[(2R,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoyl-methylamino]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166137276
2-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]acetic acid
CID 170411835
tert-butyl 1-[3-[[(2R,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propoxymethyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166137060
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
4-[2-[[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethyl]morpholine
CID 170411836
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 176951630
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate?
The IUPAC name of methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate (CID 166137248) is methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate.
What is the SMILES notation for methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate?
The canonical SMILES for methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate is COC(=O)CCOC1CN2CCCC2(CO)C1.
What is the InChIKey of methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate?
The InChIKey is KESVWLWITFPAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-11(15)3-6-17-10-7-12(9-14)4-2-5-13(12)8-10/h10,14H,2-9H2,1H3.
What are the key properties of methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate?
methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate is sourced from PubChem (CID 166137248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).