methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate

C10H21NO4 — CID 116502084

IUPACmethyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
SMILESCOCCNC(C(=O)OC)C(C)COC
InChIInChI=1S/C10H21NO4/c1-8(7-14-3)9(10(12)15-4)11-5-6-13-2/h8-9,11H,5-7H2,1-4H3
InChIKeySSNMXSHWFMQGOB-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.05
Rot. Bonds8

About methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate

methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate (PubChem CID 116502084) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
PubChem CID116502084
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
SMILESCOCCNC(C(=O)OC)C(C)COC
InChIInChI=1S/C10H21NO4/c1-8(7-14-3)9(10(12)15-4)11-5-6-13-2/h8-9,11H,5-7H2,1-4H3
InChIKeySSNMXSHWFMQGOB-UHFFFAOYSA-N
XLogP0.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.05
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-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate
CID 116502052
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
methyl 3-methyl-2-[2-(2-methylpropoxy)ethylamino]butanoate
CID 106451614
2-(2-methoxyethylamino)-3-methylhexanoic acid
CID 62542076
2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
CID 118539637
methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
CID 62535658
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
methyl 2-(4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502045
2-(cyclopropylmethylamino)-4-methoxy-3-methylbutanamide
CID 116501952
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate?
The IUPAC name of methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate (CID 116502084) is methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate?
The canonical SMILES for methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate is COCCNC(C(=O)OC)C(C)COC.
What is the InChIKey of methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate?
The InChIKey is SSNMXSHWFMQGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(7-14-3)9(10(12)15-4)11-5-6-13-2/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate?
methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate has a molecular weight of 219.28 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate is sourced from PubChem (CID 116502084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).