methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate

C9H15NO4 — CID 143455372

IUPACmethyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(C)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)3-8(12)10-4-7(5-10)9(13)14-2/h6-7,11H,3-5H2,1-2H3
InChIKeySGFKIOJCBTVOHG-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.61
Rot. Bonds3

About methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate

methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate (PubChem CID 143455372) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
PubChem CID143455372
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(C)O)C1
InChIInChI=1S/C9H15NO4/c1-6(11)3-8(12)10-4-7(5-10)9(13)14-2/h6-7,11H,3-5H2,1-2H3
InChIKeySGFKIOJCBTVOHG-UHFFFAOYSA-N
XLogP-0.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate?
The IUPAC name of methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate (CID 143455372) is methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate is COC(=O)C1CN(C(=O)CC(C)O)C1.
What is the InChIKey of methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate?
The InChIKey is SGFKIOJCBTVOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)3-8(12)10-4-7(5-10)9(13)14-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate?
methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate is sourced from PubChem (CID 143455372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).