ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate

C15H30N2O2 — CID 63217386

IUPACethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CCCC1(C)C)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)10-8-12-17-11-7-9-14(17,2)3/h16H,6-12H2,1-5H3
InChIKeyVBMSJQFBERZSHX-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate

ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 63217386) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID63217386
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CCCC1(C)C)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)10-8-12-17-11-7-9-14(17,2)3/h16H,6-12H2,1-5H3
InChIKeyVBMSJQFBERZSHX-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 63217433
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
CID 55162522
ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 103538248
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 63217429
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254003
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate (CID 63217386) is ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CCCN1CCCC1(C)C)NC.
What is the InChIKey of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is VBMSJQFBERZSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-13(18)15(4,16-5)10-8-12-17-11-7-9-14(17,2)3/h16H,6-12H2,1-5H3.
What are the key properties of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate?
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 63217386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).