ethyl 2-(dimethylamino)-2,2-diethoxyacetate

C10H21NO4 — CID 12514181

IUPACethyl 2-(dimethylamino)-2,2-diethoxyacetate
SMILESCCOC(=O)C(OCC)(OCC)N(C)C
InChIInChI=1S/C10H21NO4/c1-6-13-9(12)10(11(4)5,14-7-2)15-8-3/h6-8H2,1-5H3
InChIKeyBRQDONZJDPBCSU-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.84
Rot. Bonds7

About ethyl 2-(dimethylamino)-2,2-diethoxyacetate

ethyl 2-(dimethylamino)-2,2-diethoxyacetate (PubChem CID 12514181) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-2,2-diethoxyacetate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-2,2-diethoxyacetate
PubChem CID12514181
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethyl 2-(dimethylamino)-2,2-diethoxyacetate
SMILESCCOC(=O)C(OCC)(OCC)N(C)C
InChIInChI=1S/C10H21NO4/c1-6-13-9(12)10(11(4)5,14-7-2)15-8-3/h6-8H2,1-5H3
InChIKeyBRQDONZJDPBCSU-UHFFFAOYSA-N
XLogP0.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 139989312
ethyl 2,2-dimethylpropanoate;hydrochloride
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CID 21285842
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
ethyl 2,2,3-triethoxypropanoate
CID 175005029
tetraethyl 1-bromo-2-ethoxyethane-1,1,2,2-tetracarboxylate
CID 71337466
ethyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 6420926
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-2,2-diethoxyacetate?
The IUPAC name of ethyl 2-(dimethylamino)-2,2-diethoxyacetate (CID 12514181) is ethyl 2-(dimethylamino)-2,2-diethoxyacetate.
What is the SMILES notation for ethyl 2-(dimethylamino)-2,2-diethoxyacetate?
The canonical SMILES for ethyl 2-(dimethylamino)-2,2-diethoxyacetate is CCOC(=O)C(OCC)(OCC)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-2,2-diethoxyacetate?
The InChIKey is BRQDONZJDPBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-6-13-9(12)10(11(4)5,14-7-2)15-8-3/h6-8H2,1-5H3.
What are the key properties of ethyl 2-(dimethylamino)-2,2-diethoxyacetate?
ethyl 2-(dimethylamino)-2,2-diethoxyacetate has a molecular weight of 219.28 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-2,2-diethoxyacetate is sourced from PubChem (CID 12514181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).