3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid

C11H18N2O4 — CID 66191537

IUPAC3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid
SMILESCOCc1cc(CN(C)CC(C)C(=O)O)no1
InChIInChI=1S/C11H18N2O4/c1-8(11(14)15)5-13(2)6-9-4-10(7-16-3)17-12-9/h4,8H,5-7H2,1-3H3,(H,14,15)
InChIKeyCCCZBSQVKCSQGB-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.97
Rot. Bonds7

About 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid (PubChem CID 66191537) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid
PubChem CID66191537
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid
SMILESCOCc1cc(CN(C)CC(C)C(=O)O)no1
InChIInChI=1S/C11H18N2O4/c1-8(11(14)15)5-13(2)6-9-4-10(7-16-3)17-12-9/h4,8H,5-7H2,1-3H3,(H,14,15)
InChIKeyCCCZBSQVKCSQGB-UHFFFAOYSA-N
XLogP0.97
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propanoic acid
CID 66189160
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
3-(5-ethyl-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 83828594
(2R)-2-acetamido-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 107774464
3-[(2,4-dihydroxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65067189
(1S)-1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 66190143
3-[(3,5-dibromophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046994
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115219485
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55007298
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine
CID 66190354

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid (CID 66191537) is 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid is COCc1cc(CN(C)CC(C)C(=O)O)no1.
What is the InChIKey of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CCCZBSQVKCSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(11(14)15)5-13(2)6-9-4-10(7-16-3)17-12-9/h4,8H,5-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid?
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 66191537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).