M0J

N-[(2S)-2-hydroxypropyl]-N'-phenylurea

Created:	2019-03-15
Last modified:	2020-04-15

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3 entries where M0J is found as a standalone ligand

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

2D diagram of M0J

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Chemical Component Summary
Name	N-[(2S)-2-hydroxypropyl]-N'-phenylurea
Systematic Name (OpenEye OEToolkits)	1-[(2~{S})-2-oxidanylpropyl]-3-phenyl-urea
Formula	C₁₀ H₁₄ N₂ O₂
Molecular Weight	194.23
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C(=O)NCC(O)C)c1ccccc1
SMILES	CACTVS	3.385	C[CH](O)CNC(=O)Nc1ccccc1
SMILES	OpenEye OEToolkits	2.0.6	CC(CNC(=O)Nc1ccccc1)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)CNC(=O)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](CNC(=O)Nc1ccccc1)O
InChI	InChI	1.03	InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
InChIKey	InChI	1.03	XEAXHIGGZMUNSO-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	51374257

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.