ethyl 3-(pyrrol-1-ylamino)butanoate

C10H16N2O2 — CID 79100098

IUPACethyl 3-(pyrrol-1-ylamino)butanoate
SMILESCCOC(=O)CC(C)Nn1cccc1
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)8-9(2)11-12-6-4-5-7-12/h4-7,9,11H,3,8H2,1-2H3
InChIKeyGSYZMSDFYTYTND-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds5

About ethyl 3-(pyrrol-1-ylamino)butanoate

ethyl 3-(pyrrol-1-ylamino)butanoate (PubChem CID 79100098) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 3-(pyrrol-1-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(pyrrol-1-ylamino)butanoate
PubChem CID79100098
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 3-(pyrrol-1-ylamino)butanoate
SMILESCCOC(=O)CC(C)Nn1cccc1
InChIInChI=1S/C10H16N2O2/c1-3-14-10(13)8-9(2)11-12-6-4-5-7-12/h4-7,9,11H,3,8H2,1-2H3
InChIKeyGSYZMSDFYTYTND-UHFFFAOYSA-N
XLogP1.37
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 2-(pyrrol-1-ylamino)pentanoate
CID 83041117
ethyl 3-(pyrrol-1-ylamino)propanoate
CID 79100627
2-(pyrrol-1-ylamino)butanoic acid
CID 69472808
(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
CID 79100766
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
CID 62636773
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 3-[(1-hydroxy-3-methylbutan-2-yl)amino]butanoate
CID 79250594
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyrrol-1-ylamino)butanoate?
The IUPAC name of ethyl 3-(pyrrol-1-ylamino)butanoate (CID 79100098) is ethyl 3-(pyrrol-1-ylamino)butanoate.
What is the SMILES notation for ethyl 3-(pyrrol-1-ylamino)butanoate?
The canonical SMILES for ethyl 3-(pyrrol-1-ylamino)butanoate is CCOC(=O)CC(C)Nn1cccc1.
What is the InChIKey of ethyl 3-(pyrrol-1-ylamino)butanoate?
The InChIKey is GSYZMSDFYTYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-14-10(13)8-9(2)11-12-6-4-5-7-12/h4-7,9,11H,3,8H2,1-2H3.
What are the key properties of ethyl 3-(pyrrol-1-ylamino)butanoate?
ethyl 3-(pyrrol-1-ylamino)butanoate has a molecular weight of 196.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyrrol-1-ylamino)butanoate is sourced from PubChem (CID 79100098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).