3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid

C10H14N2O5 — CID 82317133

IUPAC3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
SMILESCc1cc(N(CC(=O)O)CC(C)C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(15)16)4-12(5-9(13)14)8-3-7(2)17-11-8/h3,6H,4-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMBWUWERIINXALF-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.59
Rot. Bonds6

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

3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid (PubChem CID 82317133) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
PubChem CID82317133
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
SMILESCc1cc(N(CC(=O)O)CC(C)C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(15)16)4-12(5-9(13)14)8-3-7(2)17-11-8/h3,6H,4-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMBWUWERIINXALF-UHFFFAOYSA-N
XLogP0.59
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid (CID 82317133) is 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid is Cc1cc(N(CC(=O)O)CC(C)C(=O)O)no1.
What is the InChIKey of 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The InChIKey is MBWUWERIINXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(10(15)16)4-12(5-9(13)14)8-3-7(2)17-11-8/h3,6H,4-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82317133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).