methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate

C10H15N3O4 — CID 106419792

IUPACmethyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
SMILESCOC(=O)C(CNCc1ccno1)NC(C)=O
InChIInChI=1S/C10H15N3O4/c1-7(14)13-9(10(15)16-2)6-11-5-8-3-4-12-17-8/h3-4,9,11H,5-6H2,1-2H3,(H,13,14)
InChIKeyWZOHVYDBYLDJRW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.56
Rot. Bonds6

About methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate

methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate (PubChem CID 106419792) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
PubChem CID106419792
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
SMILESCOC(=O)C(CNCc1ccno1)NC(C)=O
InChIInChI=1S/C10H15N3O4/c1-7(14)13-9(10(15)16-2)6-11-5-8-3-4-12-17-8/h3-4,9,11H,5-6H2,1-2H3,(H,13,14)
InChIKeyWZOHVYDBYLDJRW-UHFFFAOYSA-N
XLogP-0.56
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
CID 103267901
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
CID 103240330
N-[1-(1,2-oxazol-5-yl)propan-2-yl]acetamide
CID 157037912
3,3,3-trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoate
CID 106036862
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
CID 103605063

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate (CID 106419792) is methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate is COC(=O)C(CNCc1ccno1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The InChIKey is WZOHVYDBYLDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(14)13-9(10(15)16-2)6-11-5-8-3-4-12-17-8/h3-4,9,11H,5-6H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate?
methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate has a molecular weight of 241.25 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate is sourced from PubChem (CID 106419792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).