2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate

C14H19NO3 — CID 130427918

IUPAC2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
SMILESCO[C@@H]1CCN(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-7-8-15(11-13)9-10-18-14(16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1
InChIKeyWGQMIVCPIPNWQJ-CYBMUJFWSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate

2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate (PubChem CID 130427918) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate.

Molecular Properties

Compound Name2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
PubChem CID130427918
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
SMILESCO[C@@H]1CCN(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-7-8-15(11-13)9-10-18-14(16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1
InChIKeyWGQMIVCPIPNWQJ-CYBMUJFWSA-N
XLogP1.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103538762
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
3-[4-(3-benzoyloxypropyl)piperazin-1-yl]propyl benzoate
CID 50896875
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-[2-(3-methoxypyrrolidin-1-yl)ethylsulfonyl]benzoic acid
CID 103540436
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
(E)-3-[4-[2-(3-methoxypyrrolidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103537604
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate?
The IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate (CID 130427918) is 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate.
What is the SMILES notation for 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate?
The canonical SMILES for 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate is CO[C@@H]1CCN(CCOC(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate?
The InChIKey is WGQMIVCPIPNWQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-7-8-15(11-13)9-10-18-14(16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate?
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate has a molecular weight of 249.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate is sourced from PubChem (CID 130427918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).