A1CGP

[(3R,4S)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol

Created:	2025-06-13
Last modified:	2025-11-05

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1 entries where A1CGP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	26
Aromatic Bond Count	5

2D diagram of A1CGP

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Chemical Component Summary
Name	[(3R,4S)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol
Systematic Name (OpenEye OEToolkits)	[(3~{R},4~{S})-4-thiophen-3-ylpyrrolidin-3-yl]methanol
Formula	C₉ H₁₃ N O S
Molecular Weight	183.271
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OCC1CNCC1c1ccsc1
SMILES	CACTVS	3.385	OC[CH]1CNC[CH]1c2cscc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cscc1C2CNCC2CO
Canonical SMILES	CACTVS	3.385	OC[C@H]1CNC[C@@H]1c2cscc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cscc1[C@H]2CNC[C@@H]2CO
InChI	InChI	1.06	InChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m1/s1
InChIKey	InChI	1.06	SWXORFHOLPJLTG-RKDXNWHRSA-N

Related Resource References

Resource Name	Reference
PubChem	23383856

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