benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate

C14H19NO2 — CID 58375773

IUPACbenzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESO=C(CC[C@@H]1CCCN1)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(9-8-13-7-4-10-15-13)17-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1
InChIKeyGEQFQCOFZUOVNJ-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds5

About benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate

benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 58375773) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID58375773
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESO=C(CC[C@@H]1CCCN1)OCc1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(9-8-13-7-4-10-15-13)17-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1
InChIKeyGEQFQCOFZUOVNJ-ZDUSSCGKSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
CID 166811067
[5-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-2-yl] benzoate
CID 173408992
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 4868209
benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 22814959
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
CID 65127484
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate (CID 58375773) is benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate is O=C(CC[C@@H]1CCCN1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is GEQFQCOFZUOVNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(9-8-13-7-4-10-15-13)17-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1.
What are the key properties of benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate?
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 58375773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).