methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate

C9H12N2O5 — CID 134854949

IUPACmethyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1coc(C)n1
InChIInChI=1S/C9H12N2O5/c1-5-10-7(4-16-5)8(13)11-6(3-12)9(14)15-2/h4,6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyNZKZBJMOZFQEIC-LURJTMIESA-N
MW228.20 g/mol
LogP-0.75
Rot. Bonds4

About methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate

methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 134854949) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID134854949
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Namemethyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1coc(C)n1
InChIInChI=1S/C9H12N2O5/c1-5-10-7(4-16-5)8(13)11-6(3-12)9(14)15-2/h4,6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyNZKZBJMOZFQEIC-LURJTMIESA-N
XLogP-0.75
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate (CID 134854949) is methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate is COC(=O)[C@H](CO)NC(=O)c1coc(C)n1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is NZKZBJMOZFQEIC-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5-10-7(4-16-5)8(13)11-6(3-12)9(14)15-2/h4,6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 228.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 134854949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).