N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide

C12H14N2O5 — CID 88775007

IUPACN-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide
SMILESCOC1(C(=O)N(O)OCc2ccccc2)CNC1=O
InChIInChI=1S/C12H14N2O5/c1-18-12(8-13-10(12)15)11(16)14(17)19-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,13,15)
InChIKeyUTNOVXDCCLHVJV-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.15
Rot. Bonds5

About N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide

N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide (PubChem CID 88775007) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide
PubChem CID88775007
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide
SMILESCOC1(C(=O)N(O)OCc2ccccc2)CNC1=O
InChIInChI=1S/C12H14N2O5/c1-18-12(8-13-10(12)15)11(16)14(17)19-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,13,15)
InChIKeyUTNOVXDCCLHVJV-UHFFFAOYSA-N
XLogP-0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate
CID 22824715
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372
N-phenylmethoxyacetohydrazide
CID 174450270
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90319910
methoxymethylbenzene;methyl acetate
CID 54330728
1-methoxy-3-methyl-1-phenylmethoxyurea
CID 15933183
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
CID 119089437
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide?
The IUPAC name of N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide (CID 88775007) is N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide?
The canonical SMILES for N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide is COC1(C(=O)N(O)OCc2ccccc2)CNC1=O.
What is the InChIKey of N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide?
The InChIKey is UTNOVXDCCLHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-18-12(8-13-10(12)15)11(16)14(17)19-7-9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide?
N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methoxy-2-oxo-N-phenylmethoxyazetidine-3-carboxamide is sourced from PubChem (CID 88775007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).