L4M

4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid

Created:	2019-02-06
Last modified:	2020-02-12

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1 entries where L4M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	2
Bond Count	38
Aromatic Bond Count	6

2D diagram of L4M

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Chemical Component Summary
Name	4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[[(1~{S},2~{S})-2-(2-hydroxy-2-oxoethyl)cyclopentyl]methyl]benzoic acid
Formula	C₁₅ H₁₈ O₄
Molecular Weight	262.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O
SMILES	CACTVS	3.385	OC(=O)C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC2CCCC2CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(cc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H18O4/c16-14(17)9-13-3-1-2-12(13)8-10-4-6-11(7-5-10)15(18)19/h4-7,12-13H,1-3,8-9H2,(H,16,17)(H,18,19)/t12-,13-/m0/s1
InChIKey	InChI	1.03	MXTHRYIVPLVGFC-STQMWFEESA-N

Related Resource References

Resource Name	Reference
PubChem	145915894

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