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

C10H17NO3 — CID 168864410

IUPACethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CC(O)C2
InChIInChI=1S/C10H17NO3/c1-2-14-9(13)10-4-3-5-11(10)7-8(12)6-10/h8,12H,2-7H2,1H3
InChIKeyBZISGTBTWVLKJE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds2

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

ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (PubChem CID 168864410) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
PubChem CID168864410
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
SMILESCCOC(=O)C12CCCN1CC(O)C2
InChIInChI=1S/C10H17NO3/c1-2-14-9(13)10-4-3-5-11(10)7-8(12)6-10/h8,12H,2-7H2,1H3
InChIKeyBZISGTBTWVLKJE-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The IUPAC name of ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate (CID 168864410) is ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is CCOC(=O)C12CCCN1CC(O)C2.
What is the InChIKey of ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
The InChIKey is BZISGTBTWVLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-9(13)10-4-3-5-11(10)7-8(12)6-10/h8,12H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate?
ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 168864410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).