ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate

C16H24N2O2 — CID 174861955

IUPACethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)13-18(14-17-10-6-7-11-17)12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyOOOZQLHHAPNUQH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds7

About ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate

ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate (PubChem CID 174861955) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
PubChem CID174861955
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)13-18(14-17-10-6-7-11-17)12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyOOOZQLHHAPNUQH-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate (CID 174861955) is ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)CN1CCCC1.
What is the InChIKey of ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate?
The InChIKey is OOOZQLHHAPNUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)13-18(14-17-10-6-7-11-17)12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3.
What are the key properties of ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate?
ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate has a molecular weight of 276.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate is sourced from PubChem (CID 174861955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).