PUE

(3~{R})-1-phenylpyrrolidine-3-carboxylic acid

Created:	2020-04-27
Last modified:	2020-05-13

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1 entries where PUE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of PUE

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Chemical Component Summary
Name	(3~{R})-1-phenylpyrrolidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-1-phenylpyrrolidine-3-carboxylic acid
Formula	C₁₁ H₁₃ N O₂
Molecular Weight	191.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH]1CCN(C1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CCC(C2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCN(C1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CC[C@H](C2)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1
InChIKey	InChI	1.03	IOFLKIRLUFZCHR-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	28875696, 51605800

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