2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate

C14H26N4O3 — CID 129095330

IUPAC2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCCN(CC)CCOCCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C14H26N4O3/c1-3-18(4-2)5-6-20-7-8-21-14(19)13(15)9-12-10-16-11-17-12/h10-11,13H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyVKEBZNKNLWYFJY-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.18
Rot. Bonds11

About 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate

2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 129095330) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID129095330
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCCN(CC)CCOCCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C14H26N4O3/c1-3-18(4-2)5-6-20-7-8-21-14(19)13(15)9-12-10-16-11-17-12/h10-11,13H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyVKEBZNKNLWYFJY-UHFFFAOYSA-N
XLogP0.18
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104563198
2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 129086942
2-[2-[2-[di(icosyl)amino]-2-oxoethoxy]ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 129086951
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61278463
butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57194966
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
CID 168886358

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 129095330) is 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is CCN(CC)CCOCCOC(=O)C(N)Cc1cnc[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is VKEBZNKNLWYFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-18(4-2)5-6-20-7-8-21-14(19)13(15)9-12-10-16-11-17-12/h10-11,13H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 298.39 g/mol, XLogP of 0.18, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 129095330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).