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

C13H23N3O5 — CID 104563198

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCOCCOCCOCCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O5/c1-18-2-3-19-4-5-20-6-7-21-13(17)12(14)8-11-9-15-10-16-11/h9-10,12H,2-8,14H2,1H3,(H,15,16)
InChIKeyVUBOTOWQFMEKPH-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.50
Rot. Bonds12

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

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 104563198) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID104563198
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESCOCCOCCOCCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O5/c1-18-2-3-19-4-5-20-6-7-21-13(17)12(14)8-11-9-15-10-16-11/h9-10,12H,2-8,14H2,1H3,(H,15,16)
InChIKeyVUBOTOWQFMEKPH-UHFFFAOYSA-N
XLogP-0.50
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 129095330
2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61278463
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57194966
butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
2-[2-[2-[di(icosyl)amino]-2-oxoethoxy]ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 129086951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 104563198) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is COCCOCCOCCOC(=O)C(N)Cc1cnc[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is VUBOTOWQFMEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-18-2-3-19-4-5-20-6-7-21-13(17)12(14)8-11-9-15-10-16-11/h9-10,12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 301.34 g/mol, XLogP of -0.50, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 104563198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).