2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid

C11H18N2O3 — CID 63064169

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)CC(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-8(2)5-13(7-11(14)15)6-10-4-9(3)12-16-10/h4,8H,5-7H2,1-3H3,(H,14,15)
InChIKeyHBQACHCCYFDMCY-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.53
Rot. Bonds6

About 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid

2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63064169) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID63064169
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)CC(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-8(2)5-13(7-11(14)15)6-10-4-9(3)12-16-10/h4,8H,5-7H2,1-3H3,(H,14,15)
InChIKeyHBQACHCCYFDMCY-UHFFFAOYSA-N
XLogP1.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 63065042
2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 65063813
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54986847
2-[(4-chlorothiophen-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 79428007
2-[(2-fluoro-5-methylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114055345
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid (CID 63064169) is 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid is Cc1cc(CN(CC(=O)O)CC(C)C)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is HBQACHCCYFDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(2)5-13(7-11(14)15)6-10-4-9(3)12-16-10/h4,8H,5-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).