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

C16H27N3O3 — CID 53465215

IUPAC5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCC1(O)CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1
InChIInChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)
InChIKeyGESSUOCTJXXJDY-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.73
Rot. Bonds7

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

5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 53465215) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID53465215
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCC1(O)CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1
InChIInChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)
InChIKeyGESSUOCTJXXJDY-UHFFFAOYSA-N
XLogP1.73
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (CID 53465215) is 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is CC1(O)CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1.
What is the InChIKey of 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is GESSUOCTJXXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
5-amino-2-[[1-(4-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 1.73, 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-hydroxy-4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 53465215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).