methyl 2-(2-carbamoylanilino)acetate

C10H12N2O3 — CID 13111327

IUPACmethyl 2-(2-carbamoylanilino)acetate
SMILESCOC(=O)CNc1ccccc1C(N)=O
InChIInChI=1S/C10H12N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(11)14/h2-5,12H,6H2,1H3,(H2,11,14)
InChIKeyVHARWGSKEOAUKP-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.37
Rot. Bonds4

About methyl 2-(2-carbamoylanilino)acetate

methyl 2-(2-carbamoylanilino)acetate (PubChem CID 13111327) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(2-carbamoylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-carbamoylanilino)acetate
PubChem CID13111327
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(2-carbamoylanilino)acetate
SMILESCOC(=O)CNc1ccccc1C(N)=O
InChIInChI=1S/C10H12N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(11)14/h2-5,12H,6H2,1H3,(H2,11,14)
InChIKeyVHARWGSKEOAUKP-UHFFFAOYSA-N
XLogP0.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-carbamoylanilino)acetate?
The IUPAC name of methyl 2-(2-carbamoylanilino)acetate (CID 13111327) is methyl 2-(2-carbamoylanilino)acetate.
What is the SMILES notation for methyl 2-(2-carbamoylanilino)acetate?
The canonical SMILES for methyl 2-(2-carbamoylanilino)acetate is COC(=O)CNc1ccccc1C(N)=O.
What is the InChIKey of methyl 2-(2-carbamoylanilino)acetate?
The InChIKey is VHARWGSKEOAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(11)14/h2-5,12H,6H2,1H3,(H2,11,14).
What are the key properties of methyl 2-(2-carbamoylanilino)acetate?
methyl 2-(2-carbamoylanilino)acetate has a molecular weight of 208.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-carbamoylanilino)acetate is sourced from PubChem (CID 13111327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).