2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid

C15H19NO4 — CID 67819839

IUPAC2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid
SMILESCN1CCCC1(Cc1ccccc1)C(=O)OCC(=O)O
InChIInChI=1S/C15H19NO4/c1-16-9-5-8-15(16,14(19)20-11-13(17)18)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
InChIKeySTUCKEQILNOHDL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds5

About 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid

2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid (PubChem CID 67819839) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid
PubChem CID67819839
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid
SMILESCN1CCCC1(Cc1ccccc1)C(=O)OCC(=O)O
InChIInChI=1S/C15H19NO4/c1-16-9-5-8-15(16,14(19)20-11-13(17)18)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
InChIKeySTUCKEQILNOHDL-UHFFFAOYSA-N
XLogP1.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-methylpiperidine-2-carboxylic acid
CID 84796305
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
CID 46884739
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
benzyl 1-acetyl-2-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 46884615
pyridin-4-ylmethyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884834
(2S)-2-benzyl-1-(3,3-dimethylbutoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71391116
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158177775
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid?
The IUPAC name of 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid (CID 67819839) is 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid.
What is the SMILES notation for 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid?
The canonical SMILES for 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid is CN1CCCC1(Cc1ccccc1)C(=O)OCC(=O)O.
What is the InChIKey of 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid?
The InChIKey is STUCKEQILNOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16-9-5-8-15(16,14(19)20-11-13(17)18)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid?
2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid is sourced from PubChem (CID 67819839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).