MQ4

(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid

Created:	2019-04-10
Last modified:	2024-09-27

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1 entries where MQ4 is covalently linked to polymer or other heterogen groups

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

2D diagram of MQ4

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Chemical Component Summary
Name	(1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(1~{S})-3-azanyl-4-[(2~{S})-1,1,1-tris(fluoranyl)-3-oxidanylidene-propan-2-yl]cyclopent-3-ene-1-carboxylic acid
Formula	C₉ H₁₀ F₃ N O₃
Molecular Weight	237.176
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F
SMILES	CACTVS	3.385	NC1=C(C[CH](C1)C(O)=O)[CH](C=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	C1C(CC(=C1C(C=O)C(F)(F)F)N)C(=O)O
Canonical SMILES	CACTVS	3.385	NC1=C(C[C@@H](C1)C(O)=O)[C@@H](C=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1
InChIKey	InChI	1.03	FRXHJQNUUVTCON-UJURSFKZSA-N

Related Resource References

Resource Name	Reference
PubChem	145946086

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