ethyl 2-[(4-bromobenzoyl)amino]propanoate

C12H14BrNO3 — CID 19166830

IUPACethyl 2-[(4-bromobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c1-3-17-12(16)8(2)14-11(15)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyGLXBURANFWOCHP-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-[(4-bromobenzoyl)amino]propanoate

ethyl 2-[(4-bromobenzoyl)amino]propanoate (PubChem CID 19166830) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 2-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-bromobenzoyl)amino]propanoate
PubChem CID19166830
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 2-[(4-bromobenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c1-3-17-12(16)8(2)14-11(15)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyGLXBURANFWOCHP-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(4-bromobenzoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
2-oxopropyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880148
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 61343512
[2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880315
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880507
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880494
(1-propyltetrazol-5-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880490
[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-bromobenzoyl)amino]propanoate (CID 19166830) is ethyl 2-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-bromobenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is GLXBURANFWOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-17-12(16)8(2)14-11(15)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(4-bromobenzoyl)amino]propanoate?
ethyl 2-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 300.15 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 19166830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).