2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid

C15H25N3O3 — CID 53464266

IUPAC2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid
SMILESCC1CCC(n2cnc(CC(OCCN)C(=O)O)c2)CC1
InChIInChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)
InChIKeyMYFSJRVPQSXHMT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.61
Rot. Bonds7

About 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid

2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid (PubChem CID 53464266) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid
PubChem CID53464266
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid
SMILESCC1CCC(n2cnc(CC(OCCN)C(=O)O)c2)CC1
InChIInChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)
InChIKeyMYFSJRVPQSXHMT-UHFFFAOYSA-N
XLogP1.61
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

UK 396082
CID 11241908
(S)-5-Amino-2-((1-(trans-4-methylcyClohexyl)-1H-imidazol-4-yl)methyl)pentanoic acid
CID 53464327
(+/-)-5-amino-2-((1-propyl-1H-imidazol-4-yl)methyl)pentanoic acid
CID 9816170
(+/-)-2-(2-(methylamino)ethoxy)-3-(1-propyl-1H-imidazol-4-yl)propanoic acid
CID 21303381
(S)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl)propanoic acid
CID 46225030
(S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-imidazol-4-yl)propanoic acid
CID 46225064
2-(2-Aminoethoxy)-3-(1-butylimidazol-4-yl)propanoic acid
CID 46225065
ent-(2S)-5-amino-2-[(1-n-propyl-1H-imidazol-4-yl)methyl]-pentanoic acid
CID 15974385
2-[(2R)-1-aminopropan-2-yl]oxy-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid
CID 53464265
Rel-(1s,4s)-5-Amino-2-((1-(4-methylcyClohexyl)-1H-imidazol-4-yl)methyl)pentanoic acid
CID 53464326
5-Amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid
CID 53465144
5-Amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
CID 53465145

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid (CID 53464266) is 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid is CC1CCC(n2cnc(CC(OCCN)C(=O)O)c2)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid?
The InChIKey is MYFSJRVPQSXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20).
What are the key properties of 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid?
2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 53464266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).