methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate

C12H23NO5 — CID 106446620

IUPACmethyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
SMILESCOC(=O)C(COCCOCC(C)C)NC(C)=O
InChIInChI=1S/C12H23NO5/c1-9(2)7-17-5-6-18-8-11(12(15)16-4)13-10(3)14/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyKMRBFRTXHSMJPA-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.35
Rot. Bonds9

About methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate

methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate (PubChem CID 106446620) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
PubChem CID106446620
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate
SMILESCOC(=O)C(COCCOCC(C)C)NC(C)=O
InChIInChI=1S/C12H23NO5/c1-9(2)7-17-5-6-18-8-11(12(15)16-4)13-10(3)14/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyKMRBFRTXHSMJPA-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
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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Related Compounds

methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558
methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
CID 44542973
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402
methyl (2S)-2-acetamido-3-prop-2-ynoxypropanoate
CID 44542821
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
2-(2-methylpropoxy)ethyl acetate
CID 520944
methyl (2S)-2-acetamidobutanoate
CID 11084154
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate?
The IUPAC name of methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate (CID 106446620) is methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate is COC(=O)C(COCCOCC(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate?
The InChIKey is KMRBFRTXHSMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-9(2)7-17-5-6-18-8-11(12(15)16-4)13-10(3)14/h9,11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate?
methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate has a molecular weight of 261.32 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[2-(2-methylpropoxy)ethoxy]propanoate is sourced from PubChem (CID 106446620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).