methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate

C13H18N2O4 — CID 81090097

IUPACmethyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
SMILESCCOc1cc(N)cc(C(=O)NC(C)C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-19-11-6-9(5-10(14)7-11)12(16)15-8(2)13(17)18-3/h5-8H,4,14H2,1-3H3,(H,15,16)
InChIKeyGDDWZPPYNZDKBF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate

methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate (PubChem CID 81090097) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
PubChem CID81090097
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
SMILESCCOc1cc(N)cc(C(=O)NC(C)C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-19-11-6-9(5-10(14)7-11)12(16)15-8(2)13(17)18-3/h5-8H,4,14H2,1-3H3,(H,15,16)
InChIKeyGDDWZPPYNZDKBF-UHFFFAOYSA-N
XLogP0.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 81094398
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate (CID 81090097) is methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate is CCOc1cc(N)cc(C(=O)NC(C)C(=O)OC)c1.
What is the InChIKey of methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate?
The InChIKey is GDDWZPPYNZDKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-19-11-6-9(5-10(14)7-11)12(16)15-8(2)13(17)18-3/h5-8H,4,14H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate?
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate has a molecular weight of 266.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 81090097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).