methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate

C12H23NO5 — CID 43431461

IUPACmethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)COCCOC)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-5-6-12(2,11(15)17-4)13-10(14)9-18-8-7-16-3/h5-9H2,1-4H3,(H,13,14)
InChIKeyZOJYYGMZVCPBDO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.50
Rot. Bonds9

About methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate (PubChem CID 43431461) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate
PubChem CID43431461
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)COCCOC)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-5-6-12(2,11(15)17-4)13-10(14)9-18-8-7-16-3/h5-9H2,1-4H3,(H,13,14)
InChIKeyZOJYYGMZVCPBDO-UHFFFAOYSA-N
XLogP0.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate (CID 43431461) is methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)COCCOC)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate?
The InChIKey is ZOJYYGMZVCPBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-5-6-12(2,11(15)17-4)13-10(14)9-18-8-7-16-3/h5-9H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate has a molecular weight of 261.32 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43431461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).