ethyl 3-(dimethylamino)-2,2-dimethylpropanoate

C9H19NO2 — CID 129270991

IUPACethyl 3-(dimethylamino)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CN(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-8(11)9(2,3)7-10(4)5/h6-7H2,1-5H3
InChIKeyDCFUYAQUIRGULR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds4

About ethyl 3-(dimethylamino)-2,2-dimethylpropanoate

ethyl 3-(dimethylamino)-2,2-dimethylpropanoate (PubChem CID 129270991) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2,2-dimethylpropanoate
PubChem CID129270991
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 3-(dimethylamino)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CN(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-8(11)9(2,3)7-10(4)5/h6-7H2,1-5H3
InChIKeyDCFUYAQUIRGULR-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
diethyl 2-methyl-2-(trideuteriomethyl)propanedioate
CID 151989927
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392
ethyl 5-chloro-2,2,4,4-tetramethyl-5-oxopentanoate
CID 134256135
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
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 3-(dimethylamino)-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-(dimethylamino)-2,2-dimethylpropanoate (CID 129270991) is ethyl 3-(dimethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)CN(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-2,2-dimethylpropanoate?
The InChIKey is DCFUYAQUIRGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-12-8(11)9(2,3)7-10(4)5/h6-7H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-2,2-dimethylpropanoate?
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate has a molecular weight of 173.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 129270991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).