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

C11H12N2O3 — CID 83837531

IUPAC2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid
SMILESCc1ccc2onc(N(C)CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O3/c1-7-3-4-9-8(5-7)11(12-16-9)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLDTXNBLYJQEBEZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.66
Rot. Bonds3

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

2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid (PubChem CID 83837531) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid
PubChem CID83837531
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid
SMILESCc1ccc2onc(N(C)CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O3/c1-7-3-4-9-8(5-7)11(12-16-9)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLDTXNBLYJQEBEZ-UHFFFAOYSA-N
XLogP1.66
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid
CID 46257742
2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid
CID 83838113
1-N-methyl-1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
CID 83837208
2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
CID 83840395
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
3,5-dimethyl-1,2-benzoxazole
CID 4283186
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519822
3-iodo-5-methyl-1,2-benzoxazole
CID 130284557
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
2-(5-methyl-2,1-benzoxazol-3-yl)acetic acid
CID 105444721

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid (CID 83837531) is 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid is Cc1ccc2onc(N(C)CC(=O)O)c2c1.
What is the InChIKey of 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid?
The InChIKey is LDTXNBLYJQEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-3-4-9-8(5-7)11(12-16-9)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid?
2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-1,2-benzoxazol-3-yl)amino]acetic acid is sourced from PubChem (CID 83837531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).