[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate

C8H14N2O4 — CID 169224077

IUPAC[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate
SMILESCOCNC(=O)COC(=O)N1CCC1
InChIInChI=1S/C8H14N2O4/c1-13-6-9-7(11)5-14-8(12)10-3-2-4-10/h2-6H2,1H3,(H,9,11)
InChIKeyRNMCGIKPYXOXGQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.45
Rot. Bonds4

About [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate

[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate (PubChem CID 169224077) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate
PubChem CID169224077
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate
SMILESCOCNC(=O)COC(=O)N1CCC1
InChIInChI=1S/C8H14N2O4/c1-13-6-9-7(11)5-14-8(12)10-3-2-4-10/h2-6H2,1H3,(H,9,11)
InChIKeyRNMCGIKPYXOXGQ-UHFFFAOYSA-N
XLogP-0.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
ethyl azetidine-1-carboxylate
CID 14088501
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid
CID 69366901
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
2-methoxyethyl 4-methylpiperazine-1-carboxylate
CID 90327658
CID 123683302
CID 123683302
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740
propyl azepane-1-carboxylate
CID 91585333
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate?
The IUPAC name of [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate (CID 169224077) is [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate.
What is the SMILES notation for [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate?
The canonical SMILES for [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate is COCNC(=O)COC(=O)N1CCC1.
What is the InChIKey of [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate?
The InChIKey is RNMCGIKPYXOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-13-6-9-7(11)5-14-8(12)10-3-2-4-10/h2-6H2,1H3,(H,9,11).
What are the key properties of [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate?
[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate is sourced from PubChem (CID 169224077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).