ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate

C14H24N2O2 — CID 79105168

IUPACethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
SMILESCCCNC(CC)c1ccn(CC(=O)OCC)c1
InChIInChI=1S/C14H24N2O2/c1-4-8-15-13(5-2)12-7-9-16(10-12)11-14(17)18-6-3/h7,9-10,13,15H,4-6,8,11H2,1-3H3
InChIKeyQAAXMAVMWOXTGF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate

ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate (PubChem CID 79105168) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
PubChem CID79105168
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
SMILESCCCNC(CC)c1ccn(CC(=O)OCC)c1
InChIInChI=1S/C14H24N2O2/c1-4-8-15-13(5-2)12-7-9-16(10-12)11-14(17)18-6-3/h7,9-10,13,15H,4-6,8,11H2,1-3H3
InChIKeyQAAXMAVMWOXTGF-UHFFFAOYSA-N
XLogP2.50
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105259
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
ethyl 2-(3-aminopyrrol-1-yl)acetate
CID 133063255
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
butyl 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79099646
ethyl 2-(3-propanoylpyrrol-1-yl)acetate
CID 79098187
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate (CID 79105168) is ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate is CCCNC(CC)c1ccn(CC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate?
The InChIKey is QAAXMAVMWOXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-8-15-13(5-2)12-7-9-16(10-12)11-14(17)18-6-3/h7,9-10,13,15H,4-6,8,11H2,1-3H3.
What are the key properties of ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate?
ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate has a molecular weight of 252.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate is sourced from PubChem (CID 79105168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).