2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid

C11H13N3O4 — CID 66769062

IUPAC2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H13N3O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2,12H2,1H3,(H2,13,15)(H,17,18)
InChIKeyJEOJGLLOZPSLQB-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.19
Rot. Bonds3

About 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid

2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid (PubChem CID 66769062) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid
PubChem CID66769062
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H13N3O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2,12H2,1H3,(H2,13,15)(H,17,18)
InChIKeyJEOJGLLOZPSLQB-UHFFFAOYSA-N
XLogP-0.19
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466
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CID 60989168
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
5-amino-2-[butyl(cyclopropyl)amino]benzamide
CID 61443918
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid?
The IUPAC name of 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid (CID 66769062) is 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid is CCN(C(=O)C(=O)O)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid?
The InChIKey is JEOJGLLOZPSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-14(10(16)11(17)18)8-4-3-6(12)5-7(8)9(13)15/h3-5H,2,12H2,1H3,(H2,13,15)(H,17,18).
What are the key properties of 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid?
2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid is sourced from PubChem (CID 66769062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).