ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate

C12H15FN2O3 — CID 54960072

IUPACethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyCHYJRLULQARSDG-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate

ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate (PubChem CID 54960072) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
PubChem CID54960072
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyCHYJRLULQARSDG-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 94411
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
CID 1841495
Methyl n-(2-aminobenzoyl)glycinate
CID 273128
2-amino-N-propylbenzamide
CID 1653335
2-amino-N-cyclopropylbenzamide
CID 2060007
2-amino-N-(prop-2-en-1-yl)benzamide
CID 2062656
2-Amino-N-(butan-2-yl)benzamide
CID 2774307
Ethyl 2-[tert-butyl(2-nitrobenzoyl)amino]acetate
CID 2807560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate (CID 54960072) is ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(F)ccc1N.
What is the InChIKey of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The InChIKey is CHYJRLULQARSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-18-12(17)7(2)15-11(16)9-6-8(13)4-5-10(9)14/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate has a molecular weight of 254.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 54960072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).