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

C15H25N3O2 — CID 53465144

IUPAC5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid
SMILESNCCCC(Cc1cn(C2CCCCC2)cn1)C(=O)O
InChIInChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)
InChIKeyFNFACZYHQHRMSK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds7

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

5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid (PubChem CID 53465144) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid
PubChem CID53465144
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid
SMILESNCCCC(Cc1cn(C2CCCCC2)cn1)C(=O)O
InChIInChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)
InChIKeyFNFACZYHQHRMSK-UHFFFAOYSA-N
XLogP2.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid (CID 53465144) is 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid is NCCCC(Cc1cn(C2CCCCC2)cn1)C(=O)O.
What is the InChIKey of 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid?
The InChIKey is FNFACZYHQHRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20).
What are the key properties of 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid?
5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-cyclohexylimidazol-4-yl)methyl]pentanoic acid is sourced from PubChem (CID 53465144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).