methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate

C14H29N3O2 — CID 55128192

IUPACmethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCCC1CN(C)C)C(=O)OC
InChIInChI=1S/C14H29N3O2/c1-6-15-14(2,13(18)19-5)11-17-9-7-8-12(17)10-16(3)4/h12,15H,6-11H2,1-5H3
InChIKeyZTXIBQZQLRUODU-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds7

About methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate

methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate (PubChem CID 55128192) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
PubChem CID55128192
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCCC1CN(C)C)C(=O)OC
InChIInChI=1S/C14H29N3O2/c1-6-15-14(2,13(18)19-5)11-17-9-7-8-12(17)10-16(3)4/h12,15H,6-11H2,1-5H3
InChIKeyZTXIBQZQLRUODU-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate (CID 55128192) is methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN1CCCC1CN(C)C)C(=O)OC.
What is the InChIKey of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate?
The InChIKey is ZTXIBQZQLRUODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-15-14(2,13(18)19-5)11-17-9-7-8-12(17)10-16(3)4/h12,15H,6-11H2,1-5H3.
What are the key properties of methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate?
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 55128192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).