methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate

C14H20N2O4 — CID 115532929

IUPACmethyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O4/c1-19-10-9-16(8-7-13(17)20-2)14(18)11-3-5-12(15)6-4-11/h3-6H,7-10,15H2,1-2H3
InChIKeyPPTXKHDYBSUJSW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds7

About methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 115532929) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
PubChem CID115532929
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O4/c1-19-10-9-16(8-7-13(17)20-2)14(18)11-3-5-12(15)6-4-11/h3-6H,7-10,15H2,1-2H3
InChIKeyPPTXKHDYBSUJSW-UHFFFAOYSA-N
XLogP0.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(3-amino-5-bromobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532935
ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
CID 42702523
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
N-(3-amino-3-sulfanylidenepropyl)-4-iodo-N-(2-methoxyethyl)benzamide
CID 63287439
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate (CID 115532929) is methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1ccc(N)cc1.
What is the InChIKey of methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is PPTXKHDYBSUJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-10-9-16(8-7-13(17)20-2)14(18)11-3-5-12(15)6-4-11/h3-6H,7-10,15H2,1-2H3.
What are the key properties of methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115532929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).