methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate

C10H15NO4 — CID 102439845

IUPACmethyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate
SMILESCOC(=O)CC1CCN2C(=O)CCC12O
InChIInChI=1S/C10H15NO4/c1-15-9(13)6-7-3-5-11-8(12)2-4-10(7,11)14/h7,14H,2-6H2,1H3
InChIKeyPTUHHSFQIXDWHG-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.12
Rot. Bonds2

About methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate

methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate (PubChem CID 102439845) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate
PubChem CID102439845
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate
SMILESCOC(=O)CC1CCN2C(=O)CCC12O
InChIInChI=1S/C10H15NO4/c1-15-9(13)6-7-3-5-11-8(12)2-4-10(7,11)14/h7,14H,2-6H2,1H3
InChIKeyPTUHHSFQIXDWHG-UHFFFAOYSA-N
XLogP-0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate?
The IUPAC name of methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate (CID 102439845) is methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate.
What is the SMILES notation for methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate?
The canonical SMILES for methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate is COC(=O)CC1CCN2C(=O)CCC12O.
What is the InChIKey of methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate?
The InChIKey is PTUHHSFQIXDWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-15-9(13)6-7-3-5-11-8(12)2-4-10(7,11)14/h7,14H,2-6H2,1H3.
What are the key properties of methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate?
methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate has a molecular weight of 213.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-1-yl)acetate is sourced from PubChem (CID 102439845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).