URQ

(2S)-3-(carbamoylamino)-2-methylpropanoic acid

Created:	2013-07-02
Last modified:	2013-09-18

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1 entries where URQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of URQ

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Chemical Component Summary
Name	(2S)-3-(carbamoylamino)-2-methylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-3-(aminocarbonylamino)-2-methyl-propanoic acid
Formula	C₅ H₁₀ N₂ O₃
Molecular Weight	146.144
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCC(C(=O)O)C)N
SMILES	CACTVS	3.385	C[CH](CNC(N)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(CNC(=O)N)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](CNC(N)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](CNC(=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKey	InChI	1.03	PHENTZNALBMCQD-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	88558720

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