methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate

C8H15NO5 — CID 148616336

IUPACmethyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate
SMILESCOC(=O)C(NC1COC1OC)OC
InChIInChI=1S/C8H15NO5/c1-11-6(7(10)12-2)9-5-4-14-8(5)13-3/h5-6,8-9H,4H2,1-3H3
InChIKeyNFJJMFQNSOKGAW-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.91
Rot. Bonds5

About methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate

methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate (PubChem CID 148616336) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate
PubChem CID148616336
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namemethyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate
SMILESCOC(=O)C(NC1COC1OC)OC
InChIInChI=1S/C8H15NO5/c1-11-6(7(10)12-2)9-5-4-14-8(5)13-3/h5-6,8-9H,4H2,1-3H3
InChIKeyNFJJMFQNSOKGAW-UHFFFAOYSA-N
XLogP-0.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate?
The IUPAC name of methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate (CID 148616336) is methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate?
The canonical SMILES for methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate is COC(=O)C(NC1COC1OC)OC.
What is the InChIKey of methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate?
The InChIKey is NFJJMFQNSOKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-11-6(7(10)12-2)9-5-4-14-8(5)13-3/h5-6,8-9H,4H2,1-3H3.
What are the key properties of methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate?
methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate has a molecular weight of 205.21 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate is sourced from PubChem (CID 148616336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).