2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

C13H21N3O3 — CID 61278270

IUPAC2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESCC(C)OCCOC(=O)c1cnc(C2(N)CCC2)[nH]1
InChIInChI=1S/C13H21N3O3/c1-9(2)18-6-7-19-11(17)10-8-15-12(16-10)13(14)4-3-5-13/h8-9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyUGMFEYVNBSFVSO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.33
Rot. Bonds6

About 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (PubChem CID 61278270) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
PubChem CID61278270
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESCC(C)OCCOC(=O)c1cnc(C2(N)CCC2)[nH]1
InChIInChI=1S/C13H21N3O3/c1-9(2)18-6-7-19-11(17)10-8-15-12(16-10)13(14)4-3-5-13/h8-9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyUGMFEYVNBSFVSO-UHFFFAOYSA-N
XLogP1.33
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (CID 61278270) is 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is CC(C)OCCOC(=O)c1cnc(C2(N)CCC2)[nH]1.
What is the InChIKey of 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The InChIKey is UGMFEYVNBSFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)18-6-7-19-11(17)10-8-15-12(16-10)13(14)4-3-5-13/h8-9H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 61278270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).