ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate

C11H20BrNO3 — CID 19856165

IUPACethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate
SMILESCCOC(=O)CCC(Br)CN(C)C(=O)CC
InChIInChI=1S/C11H20BrNO3/c1-4-10(14)13(3)8-9(12)6-7-11(15)16-5-2/h9H,4-8H2,1-3H3
InChIKeyVVONPRFGTJFHAA-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.96
Rot. Bonds7

About ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate

ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate (PubChem CID 19856165) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate
PubChem CID19856165
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC Nameethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate
SMILESCCOC(=O)CCC(Br)CN(C)C(=O)CC
InChIInChI=1S/C11H20BrNO3/c1-4-10(14)13(3)8-9(12)6-7-11(15)16-5-2/h9H,4-8H2,1-3H3
InChIKeyVVONPRFGTJFHAA-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate 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

ethyl 4-bromo-6,6,6-trichlorohexanoate
CID 560506
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
diethyl 4-(methylamino)heptanedioate
CID 88543894
(2S)-2-(dimethylamino)-5-ethoxy-5-oxopentanoic acid
CID 131858946
diethyl 4-iodoheptanedioate
CID 102577942
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
ethyl 5-amino-5-bromopentanoate
CID 88722728
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 4-acetylheptanedioate
CID 15669145
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
ethyl 4-amino-5-fluoropentanoate
CID 13477556

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate?
The IUPAC name of ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate (CID 19856165) is ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate.
What is the SMILES notation for ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate?
The canonical SMILES for ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate is CCOC(=O)CCC(Br)CN(C)C(=O)CC.
What is the InChIKey of ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate?
The InChIKey is VVONPRFGTJFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-4-10(14)13(3)8-9(12)6-7-11(15)16-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate?
ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate has a molecular weight of 294.19 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate is sourced from PubChem (CID 19856165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).