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

C9H12N2O4 — CID 100623709

IUPACmethyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1coc(C)n1
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4-5H,1-3H3,(H,10,12)/t5-/m1/s1
InChIKeyLGNHTEXRVFFCBC-RXMQYKEDSA-N
MW212.20 g/mol
LogP0.27
Rot. Bonds3

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

methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 100623709) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID100623709
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1coc(C)n1
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4-5H,1-3H3,(H,10,12)/t5-/m1/s1
InChIKeyLGNHTEXRVFFCBC-RXMQYKEDSA-N
XLogP0.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate (CID 100623709) is methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1coc(C)n1.
What is the InChIKey of methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is LGNHTEXRVFFCBC-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4-5H,1-3H3,(H,10,12)/t5-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate?
methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 212.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 100623709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).