amino 2-acetamido-4-methylbenzoate

C10H12N2O3 — CID 175190459

IUPACamino 2-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C)ccc1C(=O)ON
InChIInChI=1S/C10H12N2O3/c1-6-3-4-8(10(14)15-11)9(5-6)12-7(2)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVOEVNHVSKPETLJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.98
Rot. Bonds2

About amino 2-acetamido-4-methylbenzoate

amino 2-acetamido-4-methylbenzoate (PubChem CID 175190459) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is amino 2-acetamido-4-methylbenzoate.

Molecular Properties

Compound Nameamino 2-acetamido-4-methylbenzoate
PubChem CID175190459
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameamino 2-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C)ccc1C(=O)ON
InChIInChI=1S/C10H12N2O3/c1-6-3-4-8(10(14)15-11)9(5-6)12-7(2)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVOEVNHVSKPETLJ-UHFFFAOYSA-N
XLogP0.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-acetamido-4-methylbenzoate?
The IUPAC name of amino 2-acetamido-4-methylbenzoate (CID 175190459) is amino 2-acetamido-4-methylbenzoate.
What is the SMILES notation for amino 2-acetamido-4-methylbenzoate?
The canonical SMILES for amino 2-acetamido-4-methylbenzoate is CC(=O)Nc1cc(C)ccc1C(=O)ON.
What is the InChIKey of amino 2-acetamido-4-methylbenzoate?
The InChIKey is VOEVNHVSKPETLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-3-4-8(10(14)15-11)9(5-6)12-7(2)13/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of amino 2-acetamido-4-methylbenzoate?
amino 2-acetamido-4-methylbenzoate has a molecular weight of 208.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-acetamido-4-methylbenzoate is sourced from PubChem (CID 175190459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).