ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate

C10H19NO3 — CID 142059596

IUPACethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate
SMILESCCOC(=O)CC(O)CC1CCCN1
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)7-9(12)6-8-4-3-5-11-8/h8-9,11-12H,2-7H2,1H3
InChIKeyUTAQGHCJKNZURJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds5

About ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate

ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate (PubChem CID 142059596) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate
PubChem CID142059596
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate
SMILESCCOC(=O)CC(O)CC1CCCN1
InChIInChI=1S/C10H19NO3/c1-2-14-10(13)7-9(12)6-8-4-3-5-11-8/h8-9,11-12H,2-7H2,1H3
InChIKeyUTAQGHCJKNZURJ-UHFFFAOYSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate?
The IUPAC name of ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate (CID 142059596) is ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate?
The canonical SMILES for ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate is CCOC(=O)CC(O)CC1CCCN1.
What is the InChIKey of ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate?
The InChIKey is UTAQGHCJKNZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(13)7-9(12)6-8-4-3-5-11-8/h8-9,11-12H,2-7H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate?
ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-pyrrolidin-2-ylbutanoate is sourced from PubChem (CID 142059596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).