methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate

C15H24N2O2 — CID 79103936

IUPACmethyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
SMILESCCNC(c1ccn(CCCC(=O)OC)c1)C1CC1
InChIInChI=1S/C15H24N2O2/c1-3-16-15(12-6-7-12)13-8-10-17(11-13)9-4-5-14(18)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3
InChIKeyFOXKLLYPRQBGFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.50
Rot. Bonds8

About methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate

methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate (PubChem CID 79103936) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
PubChem CID79103936
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
SMILESCCNC(c1ccn(CCCC(=O)OC)c1)C1CC1
InChIInChI=1S/C15H24N2O2/c1-3-16-15(12-6-7-12)13-8-10-17(11-13)9-4-5-14(18)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3
InChIKeyFOXKLLYPRQBGFI-UHFFFAOYSA-N
XLogP2.50
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate?
The IUPAC name of methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate (CID 79103936) is methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate is CCNC(c1ccn(CCCC(=O)OC)c1)C1CC1.
What is the InChIKey of methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate?
The InChIKey is FOXKLLYPRQBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-16-15(12-6-7-12)13-8-10-17(11-13)9-4-5-14(18)19-2/h8,10-12,15-16H,3-7,9H2,1-2H3.
What are the key properties of methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate?
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate has a molecular weight of 264.37 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 methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate is sourced from PubChem (CID 79103936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).