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

C17H29N3O2 — CID 53465145

IUPAC5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCC1CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1
InChIInChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)
InChIKeyFDZCUYWSKODDEJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.01
Rot. Bonds8

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

5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (PubChem CID 53465145) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
PubChem CID53465145
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
SMILESCCC1CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1
InChIInChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)
InChIKeyFDZCUYWSKODDEJ-UHFFFAOYSA-N
XLogP3.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.01
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-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid (CID 53465145) is 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is CCC1CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1.
What is the InChIKey of 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
The InChIKey is FDZCUYWSKODDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22).
What are the key properties of 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid?
5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid has a molecular weight of 307.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(4-ethylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid is sourced from PubChem (CID 53465145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).