oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

C13H19N3O3 — CID 61279680

IUPACoxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESNC1(c2ncc(C(=O)OCC3CCCO3)[nH]2)CCC1
InChIInChI=1S/C13H19N3O3/c14-13(4-2-5-13)12-15-7-10(16-12)11(17)19-8-9-3-1-6-18-9/h7,9H,1-6,8,14H2,(H,15,16)
InChIKeyYLQXBEVFCAZEHC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds4

About oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (PubChem CID 61279680) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
PubChem CID61279680
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameoxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESNC1(c2ncc(C(=O)OCC3CCCO3)[nH]2)CCC1
InChIInChI=1S/C13H19N3O3/c14-13(4-2-5-13)12-15-7-10(16-12)11(17)19-8-9-3-1-6-18-9/h7,9H,1-6,8,14H2,(H,15,16)
InChIKeyYLQXBEVFCAZEHC-UHFFFAOYSA-N
XLogP1.08
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166334911
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
CID 65127477
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (CID 61279680) is oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is NC1(c2ncc(C(=O)OCC3CCCO3)[nH]2)CCC1.
What is the InChIKey of oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The InChIKey is YLQXBEVFCAZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-13(4-2-5-13)12-15-7-10(16-12)11(17)19-8-9-3-1-6-18-9/h7,9H,1-6,8,14H2,(H,15,16).
What are the key properties of oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 61279680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).