2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid

C11H16N2O4 — CID 63071857

IUPAC2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1oncc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)5-13(6-10(14)15)11(16)9-4-12-17-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15)
InChIKeyWPHCFXHEUGIAFI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.17
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63071857) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63071857
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1oncc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)5-13(6-10(14)15)11(16)9-4-12-17-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15)
InChIKeyWPHCFXHEUGIAFI-UHFFFAOYSA-N
XLogP1.17
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
2-[2-methylpropyl-(4-methylthiophene-3-carbonyl)amino]acetic acid
CID 79802326
N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 104555676
2-[(4-methyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81361462
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
CID 120517205
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-[isoquinoline-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120517309
2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[2-methylpropyl-(2,3,5-triiodobenzoyl)amino]acetic acid
CID 63405834

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63071857) is 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid is Cc1oncc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is WPHCFXHEUGIAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)5-13(6-10(14)15)11(16)9-4-12-17-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63071857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).