methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate

C11H17N3O3 — CID 23274573

IUPACmethyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC(O)Cn1ccnc1
InChIInChI=1S/C11H17N3O3/c1-17-11(16)10-2-4-14(10)7-9(15)6-13-5-3-12-8-13/h3,5,8-10,15H,2,4,6-7H2,1H3
InChIKeyIRZZHPLBKGYALV-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.51
Rot. Bonds5

About methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate

methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate (PubChem CID 23274573) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate
PubChem CID23274573
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CC(O)Cn1ccnc1
InChIInChI=1S/C11H17N3O3/c1-17-11(16)10-2-4-14(10)7-9(15)6-13-5-3-12-8-13/h3,5,8-10,15H,2,4,6-7H2,1H3
InChIKeyIRZZHPLBKGYALV-UHFFFAOYSA-N
XLogP-0.51
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
CID 115536883
methyl 1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]azetidine-2-carboxylate
CID 15691710
1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 65447755
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
[(2R)-1-imidazol-1-ylpropan-2-yl] acetate
CID 124636711
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
tert-butyl (3R)-3-[(2-hydroxy-3-imidazol-1-ylpropyl)carbamoyl]piperazine-1-carboxylate
CID 71167965
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate (CID 23274573) is methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate is COC(=O)C1CCN1CC(O)Cn1ccnc1.
What is the InChIKey of methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate?
The InChIKey is IRZZHPLBKGYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-11(16)10-2-4-14(10)7-9(15)6-13-5-3-12-8-13/h3,5,8-10,15H,2,4,6-7H2,1H3.
What are the key properties of methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate?
methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate is sourced from PubChem (CID 23274573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).