ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate

C13H19N3O4 — CID 62026376

IUPACethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H19N3O4/c1-3-16(9-12(18)20-4-2)8-11(17)15-13(19)10-6-5-7-14-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,17,19)
InChIKeyWBIUXLARYUBRCB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.16
Rot. Bonds7

About ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate

ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate (PubChem CID 62026376) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
PubChem CID62026376
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(CC)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H19N3O4/c1-3-16(9-12(18)20-4-2)8-11(17)15-13(19)10-6-5-7-14-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,17,19)
InChIKeyWBIUXLARYUBRCB-UHFFFAOYSA-N
XLogP0.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-aminoethyl(ethyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 114231224
N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 62686626
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
methyl 2-[ethyl-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]amino]acetate
CID 62013128
ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate
CID 141002177
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
CID 115257431
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
(2S)-2-amino-3-methyl-3-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylbutanoic acid
CID 106443011
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate (CID 62026376) is ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate is CCOC(=O)CN(CC)CC(=O)NC(=O)c1ccc[nH]1.
What is the InChIKey of ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate?
The InChIKey is WBIUXLARYUBRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-16(9-12(18)20-4-2)8-11(17)15-13(19)10-6-5-7-14-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,15,17,19).
What are the key properties of ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate?
ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate has a molecular weight of 281.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate is sourced from PubChem (CID 62026376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).