ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate

C14H20N2O3 — CID 113331339

IUPACethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(C)n1C
InChIInChI=1S/C14H20N2O3/c1-5-9-16(10-13(17)19-6-2)14(18)12-8-7-11(3)15(12)4/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyAVIJSVICUNVHDF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.52
Rot. Bonds6

About ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate

ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate (PubChem CID 113331339) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
PubChem CID113331339
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(C)n1C
InChIInChI=1S/C14H20N2O3/c1-5-9-16(10-13(17)19-6-2)14(18)12-8-7-11(3)15(12)4/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyAVIJSVICUNVHDF-UHFFFAOYSA-N
XLogP1.52
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093410
ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)propanoate
CID 3240210
N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
methyl (1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetate
CID 3243261
methyl 2-(2-formyl-1H-pyrrol-1-yl)acetate
CID 28952900
[Methyl-(1H-pyrrole-2-carbonyl)-amino]-acetic acid methyl ester
CID 10703029
methyl (2S)-1-[2-(pyridine-2-carbonylamino)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 44400797
(6-Methyl-2-pyridinyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 72112635
N-(Pyrrole-2-carboxyl)glycine
CID 194149
Ethyl 2-(picolinamido)acetate
CID 6422915
5-Methyl-1-(2-methylpropyl)-1H-pyrrole-2-carbaldehyde
CID 53439025
methyl 2-(2-formyl-1H-pyrrol-1-yl)propanoate
CID 61499842

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate (CID 113331339) is ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc(C)n1C.
What is the InChIKey of ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate?
The InChIKey is AVIJSVICUNVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-9-16(10-13(17)19-6-2)14(18)12-8-7-11(3)15(12)4/h5,7-8H,1,6,9-10H2,2-4H3.
What are the key properties of ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate?
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 113331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).