methyl 3-hydroxyazetidine-1-carboxylate

C5H9NO3 — CID 560293

IUPACmethyl 3-hydroxyazetidine-1-carboxylate
SMILESCOC(=O)N1CC(O)C1
InChIInChI=1S/C5H9NO3/c1-9-5(8)6-2-4(7)3-6/h4,7H,2-3H2,1H3
InChIKeyPDCPSVRSNHMDJH-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.57
Rot. Bonds

About methyl 3-hydroxyazetidine-1-carboxylate

methyl 3-hydroxyazetidine-1-carboxylate (PubChem CID 560293) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl 3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxyazetidine-1-carboxylate
PubChem CID560293
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl 3-hydroxyazetidine-1-carboxylate
SMILESCOC(=O)N1CC(O)C1
InChIInChI=1S/C5H9NO3/c1-9-5(8)6-2-4(7)3-6/h4,7H,2-3H2,1H3
InChIKeyPDCPSVRSNHMDJH-UHFFFAOYSA-N
XLogP-0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxyazetidine-1-carboxylate?
The IUPAC name of methyl 3-hydroxyazetidine-1-carboxylate (CID 560293) is methyl 3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for methyl 3-hydroxyazetidine-1-carboxylate is COC(=O)N1CC(O)C1.
What is the InChIKey of methyl 3-hydroxyazetidine-1-carboxylate?
The InChIKey is PDCPSVRSNHMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-5(8)6-2-4(7)3-6/h4,7H,2-3H2,1H3.
What are the key properties of methyl 3-hydroxyazetidine-1-carboxylate?
methyl 3-hydroxyazetidine-1-carboxylate has a molecular weight of 131.13 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 560293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).