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

C17H34N2O2 — CID 63217433

IUPACethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CCCC1(C)C)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-7-21-15(20)17(6,18-14(2)3)11-9-13-19-12-8-10-16(19,4)5/h14,18H,7-13H2,1-6H3
InChIKeyWBOZBRIGRFNNBR-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.96
Rot. Bonds8

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

ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 63217433) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID63217433
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCN1CCCC1(C)C)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-7-21-15(20)17(6,18-14(2)3)11-9-13-19-12-8-10-16(19,4)5/h14,18H,7-13H2,1-6H3
InChIKeyWBOZBRIGRFNNBR-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate (CID 63217433) is ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CCCN1CCCC1(C)C)NC(C)C.
What is the InChIKey of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is WBOZBRIGRFNNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-21-15(20)17(6,18-14(2)3)11-9-13-19-12-8-10-16(19,4)5/h14,18H,7-13H2,1-6H3.
What are the key properties of ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.96, 8 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-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 63217433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).