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

C9H14N2O4 — CID 106417341

IUPACmethyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCc1ccno1
InChIInChI=1S/C9H14N2O4/c1-9(13,8(12)14-2)6-10-5-7-3-4-11-15-7/h3-4,10,13H,5-6H2,1-2H3
InChIKeyOPDGOFBJYQDMJA-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.31
Rot. Bonds5

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

methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate (PubChem CID 106417341) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate
PubChem CID106417341
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCc1ccno1
InChIInChI=1S/C9H14N2O4/c1-9(13,8(12)14-2)6-10-5-7-3-4-11-15-7/h3-4,10,13H,5-6H2,1-2H3
InChIKeyOPDGOFBJYQDMJA-UHFFFAOYSA-N
XLogP-0.31
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
3,3,3-Trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760
2,2-Difluoro-3-{[(1,2-oxazol-5-yl)methyl]amino}propanoic acid
CID 165789206
Methyl 2-(1,2-oxazole-5-carbonylamino)acetate
CID 43431218
tert-butyl N-(1,2-oxazol-5-ylmethyl)carbamate
CID 53818902
2-methyl-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 59539260
methyl N-(1,2-oxazol-5-ylmethyl)carbamate
CID 106415587
2-[Methyl(1,2-oxazol-5-ylmethyl)amino]acetic acid
CID 43442241
2-(1,2-Oxazol-5-ylmethylamino)acetic acid
CID 43466227
3-(1,2-Oxazol-5-ylmethylamino)propanoic acid
CID 43466757
2-(1,2-Oxazol-5-ylmethylamino)propanoic acid
CID 43467356
3-Methyl-2-(1,2-oxazol-5-ylmethylamino)butanoic acid
CID 43468274

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate (CID 106417341) is methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate is COC(=O)C(C)(O)CNCc1ccno1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate?
The InChIKey is OPDGOFBJYQDMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(13,8(12)14-2)6-10-5-7-3-4-11-15-7/h3-4,10,13H,5-6H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate has a molecular weight of 214.22 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate is sourced from PubChem (CID 106417341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).