ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate

C14H28N2O2 — CID 63217699

IUPACethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCCC1(C)C)NC
InChIInChI=1S/C14H28N2O2/c1-6-18-12(17)14(4,15-5)9-11-16-10-7-8-13(16,2)3/h15H,6-11H2,1-5H3
InChIKeyBBNLMKUXCIFHKH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds6

About ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate

ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 63217699) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID63217699
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCCC1(C)C)NC
InChIInChI=1S/C14H28N2O2/c1-6-18-12(17)14(4,15-5)9-11-16-10-7-8-13(16,2)3/h15H,6-11H2,1-5H3
InChIKeyBBNLMKUXCIFHKH-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 63217433
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
CID 55162522
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 63217657
ethyl 4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)butanoate
CID 64837571
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 63217699) is ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate is CCOC(=O)C(C)(CCN1CCCC1(C)C)NC.
What is the InChIKey of ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is BBNLMKUXCIFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-18-12(17)14(4,15-5)9-11-16-10-7-8-13(16,2)3/h15H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate?
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 63217699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).