ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate

C11H19N3O2 — CID 70612970

IUPACethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate
SMILESCCOC(=O)CCc1cn(CCCN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-16-11(15)5-4-10-8-14(9-13-10)7-3-6-12/h8-9H,2-7,12H2,1H3
InChIKeyPVNGQIPOYHQVCV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.73
Rot. Bonds7

About ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate

ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate (PubChem CID 70612970) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate
PubChem CID70612970
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate
SMILESCCOC(=O)CCc1cn(CCCN)cn1
InChIInChI=1S/C11H19N3O2/c1-2-16-11(15)5-4-10-8-14(9-13-10)7-3-6-12/h8-9H,2-7,12H2,1H3
InChIKeyPVNGQIPOYHQVCV-UHFFFAOYSA-N
XLogP0.73
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 79983250
ethyl 4-(4-nitrosoimidazol-1-yl)butanoate
CID 59103067
butyl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
CID 166402284
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
ethyl 4-(4-nitroimidazol-1-yl)butanoate
CID 20711251
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
(1-butylimidazol-4-yl)methanamine
CID 82467842
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]propan-1-amine
CID 20728226
ethyl 2-(1-methylimidazol-4-yl)acetate
CID 77134384
methyl 3-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]propanoate
CID 142115157
propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
CID 167784848
methyl 3-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]propanoate
CID 167957271

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate (CID 70612970) is ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate is CCOC(=O)CCc1cn(CCCN)cn1.
What is the InChIKey of ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate?
The InChIKey is PVNGQIPOYHQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-11(15)5-4-10-8-14(9-13-10)7-3-6-12/h8-9H,2-7,12H2,1H3.
What are the key properties of ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate?
ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(3-aminopropyl)imidazol-4-yl]propanoate is sourced from PubChem (CID 70612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).