ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate

C9H19NO3 — CID 82353172

IUPACethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate
SMILESCCOC(=O)C(C)(C)OCCNC
InChIInChI=1S/C9H19NO3/c1-5-12-8(11)9(2,3)13-7-6-10-4/h10H,5-7H2,1-4H3
InChIKeyMHCRFNXSPYOERY-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds6

About ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate

ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate (PubChem CID 82353172) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate
PubChem CID82353172
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate
SMILESCCOC(=O)C(C)(C)OCCNC
InChIInChI=1S/C9H19NO3/c1-5-12-8(11)9(2,3)13-7-6-10-4/h10H,5-7H2,1-4H3
InChIKeyMHCRFNXSPYOERY-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-3,3-dimethyl-4-oxobutyl)phosphonic acid
CID 87358725
3-(methylamino)propyl 2-ethyl-2,3,3-trimethylbutanoate
CID 138567163
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
2-(methylamino)ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 138564197
ethyl 2-methyl-2-sulfinooxypropanoate
CID 118684426
ethyl 2-hydroxy-2-propoxypropanoate
CID 100919605
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
CID 62541696
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate (CID 82353172) is ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate is CCOC(=O)C(C)(C)OCCNC.
What is the InChIKey of ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate?
The InChIKey is MHCRFNXSPYOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-12-8(11)9(2,3)13-7-6-10-4/h10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate?
ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(methylamino)ethoxy]propanoate is sourced from PubChem (CID 82353172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).