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

C16H27N3O2 — CID 71225120

IUPAC2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCCC(N)(Cc1cn(C2CCC(C)CC2)cn1)C(=O)O
InChIInChI=1S/C16H27N3O2/c1-3-8-16(17,15(20)21)9-13-10-19(11-18-13)14-6-4-12(2)5-7-14/h10-12,14H,3-9,17H2,1-2H3,(H,20,21)
InChIKeyVNVRNQRQJMOCOM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds6

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

2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 71225120) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID71225120
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCCC(N)(Cc1cn(C2CCC(C)CC2)cn1)C(=O)O
InChIInChI=1S/C16H27N3O2/c1-3-8-16(17,15(20)21)9-13-10-19(11-18-13)14-6-4-12(2)5-7-14/h10-12,14H,3-9,17H2,1-2H3,(H,20,21)
InChIKeyVNVRNQRQJMOCOM-UHFFFAOYSA-N
XLogP2.76
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (CID 71225120) is 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is CCCC(N)(Cc1cn(C2CCC(C)CC2)cn1)C(=O)O.
What is the InChIKey of 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is VNVRNQRQJMOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-8-16(17,15(20)21)9-13-10-19(11-18-13)14-6-4-12(2)5-7-14/h10-12,14H,3-9,17H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 71225120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).