ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate

C15H27N3O3 — CID 14888739

IUPACethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)OCC)c1N
InChIInChI=1S/C15H27N3O3/c1-4-6-7-8-9-12(11(3)19)18-10-17-13(14(18)16)15(20)21-5-2/h10-12,19H,4-9,16H2,1-3H3
InChIKeyCFAYCGHJRJDIKW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.53
Rot. Bonds9

About ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate

ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate (PubChem CID 14888739) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate
PubChem CID14888739
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)OCC)c1N
InChIInChI=1S/C15H27N3O3/c1-4-6-7-8-9-12(11(3)19)18-10-17-13(14(18)16)15(20)21-5-2/h10-12,19H,4-9,16H2,1-3H3
InChIKeyCFAYCGHJRJDIKW-UHFFFAOYSA-N
XLogP2.53
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate (CID 14888739) is ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate is CCCCCCC(C(C)O)n1cnc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate?
The InChIKey is CFAYCGHJRJDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-6-7-8-9-12(11(3)19)18-10-17-13(14(18)16)15(20)21-5-2/h10-12,19H,4-9,16H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 14888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).