ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate

C10H13NO4 — CID 90336585

IUPACethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N2CCCC12
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)7-6-4-3-5-11(6)9(13)8(7)12/h6,12H,2-5H2,1H3
InChIKeyGEMAHNOXDDNUFW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.37
Rot. Bonds2

About ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate

ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate (PubChem CID 90336585) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
PubChem CID90336585
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N2CCCC12
InChIInChI=1S/C10H13NO4/c1-2-15-10(14)7-6-4-3-5-11(6)9(13)8(7)12/h6,12H,2-5H2,1H3
InChIKeyGEMAHNOXDDNUFW-UHFFFAOYSA-N
XLogP0.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate (CID 90336585) is ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate is CCOC(=O)C1=C(O)C(=O)N2CCCC12.
What is the InChIKey of ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate?
The InChIKey is GEMAHNOXDDNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-15-10(14)7-6-4-3-5-11(6)9(13)8(7)12/h6,12H,2-5H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate?
ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 90336585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).