5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid

C15H25N3O3 — CID 53465214

IUPAC5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESNCCCC(Cc1cn(C2CCC(O)CC2)cn1)C(=O)O
InChIInChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)
InChIKeyCEXOYROFZTUKIF-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.34
Rot. Bonds7

About 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid

5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 53465214) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID53465214
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESNCCCC(Cc1cn(C2CCC(O)CC2)cn1)C(=O)O
InChIInChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)
InChIKeyCEXOYROFZTUKIF-UHFFFAOYSA-N
XLogP1.34
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

UK 396082
CID 11241908
(2S)-5-azaniumyl-2-[(1-propylimidazol-4-yl)methyl]pentanoate
CID 24916881
(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
6-Amino-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-hexanoic acid
CID 9900049
(+/-)-2-((1H-imidazol-4-yl)methyl)-5-aminopentanoic acid
CID 22319346
(S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-imidazol-4-yl)propanoic acid
CID 46225064
(2S)-2-{[(1S)-1-carboxy-2-[1-(cyclohexylmethyl)-1H-imidazol-5-yl]ethyl]amino}-4-methylpentanoic acid
CID 24776239
(2S)-2-{[(1S)-1-carboxy-2-[1-(2-cyclohexylpropan-2-yl)-1H-imidazol-5-yl]ethyl]amino}-4-methylpentanoic acid
CID 24776248
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
2-(2-Aminoethoxy)-3-[1-(4-methylcyclohexyl)imidazol-4-yl]propanoic acid
CID 53464266

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid (CID 53465214) is 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid is NCCCC(Cc1cn(C2CCC(O)CC2)cn1)C(=O)O.
What is the InChIKey of 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is CEXOYROFZTUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21).
What are the key properties of 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(4-hydroxycyclohexyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 53465214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).