3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide

C12H20N4O2 — CID 122560977

IUPAC3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CC(O)C1)c1nccn1C
InChIInChI=1S/C12H20N4O2/c1-8(2)10(11-13-4-5-15(11)3)14-12(18)16-6-9(17)7-16/h4-5,8-10,17H,6-7H2,1-3H3,(H,14,18)
InChIKeyOMBMTXIJFCFXIX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.50
Rot. Bonds3

About 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide

3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide (PubChem CID 122560977) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
PubChem CID122560977
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CC(O)C1)c1nccn1C
InChIInChI=1S/C12H20N4O2/c1-8(2)10(11-13-4-5-15(11)3)14-12(18)16-6-9(17)7-16/h4-5,8-10,17H,6-7H2,1-3H3,(H,14,18)
InChIKeyOMBMTXIJFCFXIX-UHFFFAOYSA-N
XLogP0.50
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 125435398
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167134951
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,4-dithiepan-6-amine
CID 95222175
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide (CID 122560977) is 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide is CC(C)C(NC(=O)N1CC(O)C1)c1nccn1C.
What is the InChIKey of 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide?
The InChIKey is OMBMTXIJFCFXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)10(11-13-4-5-15(11)3)14-12(18)16-6-9(17)7-16/h4-5,8-10,17H,6-7H2,1-3H3,(H,14,18).
What are the key properties of 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide?
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide is sourced from PubChem (CID 122560977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).