2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid

C11H14N2O4 — CID 114263436

IUPAC2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
SMILESCCOc1cc(N)cc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-2-17-9-4-7(3-8(12)5-9)11(16)13-6-10(14)15/h3-5H,2,6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyFETLEUSHYJCWKZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.48
Rot. Bonds5

About 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid

2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid (PubChem CID 114263436) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
PubChem CID114263436
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
SMILESCCOc1cc(N)cc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-2-17-9-4-7(3-8(12)5-9)11(16)13-6-10(14)15/h3-5H,2,6,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyFETLEUSHYJCWKZ-UHFFFAOYSA-N
XLogP0.48
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
CID 81091355
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid (CID 114263436) is 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid is CCOc1cc(N)cc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid?
The InChIKey is FETLEUSHYJCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-9-4-7(3-8(12)5-9)11(16)13-6-10(14)15/h3-5H,2,6,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid?
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 114263436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).