ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate

C10H19NO3 — CID 123408061

IUPACethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CC(C(=O)OCC)CC1O
InChIInChI=1S/C10H19NO3/c1-3-5-11-7-8(6-9(11)12)10(13)14-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyAIWOJJJTENXGDO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds4

About ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate

ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate (PubChem CID 123408061) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate
PubChem CID123408061
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CC(C(=O)OCC)CC1O
InChIInChI=1S/C10H19NO3/c1-3-5-11-7-8(6-9(11)12)10(13)14-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyAIWOJJJTENXGDO-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate (CID 123408061) is ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate is CCCN1CC(C(=O)OCC)CC1O.
What is the InChIKey of ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate?
The InChIKey is AIWOJJJTENXGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-11-7-8(6-9(11)12)10(13)14-4-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate?
ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 123408061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).