ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate

C15H21NO3 — CID 62395044

IUPACethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-2-19-14(17)10-15(18)8-9-16(12-15)11-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3
InChIKeyQUXJGGDCAMFUBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds5

About ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate

ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate (PubChem CID 62395044) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate
PubChem CID62395044
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-2-19-14(17)10-15(18)8-9-16(12-15)11-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3
InChIKeyQUXJGGDCAMFUBO-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate (CID 62395044) is ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate is CCOC(=O)CC1(O)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate?
The InChIKey is QUXJGGDCAMFUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-14(17)10-15(18)8-9-16(12-15)11-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3.
What are the key properties of ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate?
ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate has a molecular weight of 263.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)acetate is sourced from PubChem (CID 62395044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).