methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate

C14H19NO2 — CID 59042589

IUPACmethyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyFDDKIOBSNZVSGD-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate

methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate (PubChem CID 59042589) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate
PubChem CID59042589
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyFDDKIOBSNZVSGD-ZDUSSCGKSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate (CID 59042589) is methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate?
The InChIKey is FDDKIOBSNZVSGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)10-13-8-5-9-15(13)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate?
methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]acetate is sourced from PubChem (CID 59042589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).