ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate

C11H17N3O3 — CID 119342719

IUPACethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CCN)cn1C
InChIInChI=1S/C11H17N3O3/c1-3-17-11(16)9-6-8(7-14(9)2)13-10(15)4-5-12/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyAEBSLCRAABBQSU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.49
Rot. Bonds5

About ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate

ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate (PubChem CID 119342719) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
PubChem CID119342719
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CCN)cn1C
InChIInChI=1S/C11H17N3O3/c1-3-17-11(16)9-6-8(7-14(9)2)13-10(15)4-5-12/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyAEBSLCRAABBQSU-UHFFFAOYSA-N
XLogP0.49
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 119342742
ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate
CID 90292042
ethyl 4-[(1-aminocyclopropanecarbonyl)amino]-1-methylpyrrole-2-carboxylate;hydrochloride
CID 119817091
ethyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylate
CID 15959167
ethyl 1-methyl-4-[(2-thiomorpholin-3-ylacetyl)amino]pyrrole-2-carboxylate;hydrochloride
CID 119940391
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
CID 119344889
4-(3-aminopropanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 14106661
ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate
CID 10693423
3-[[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)amino]methyl]benzoic acid
CID 122034349
ethyl 4-[[(2R)-2-[(4-tert-butylbenzoyl)amino]propanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 95783175
ethyl 1-methyl-4-[[(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]pyrrole-2-carboxylate
CID 97359534
ethyl 1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxylate
CID 163403880

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate (CID 119342719) is ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(NC(=O)CCN)cn1C.
What is the InChIKey of ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate?
The InChIKey is AEBSLCRAABBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-11(16)9-6-8(7-14(9)2)13-10(15)4-5-12/h6-7H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate?
ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 119342719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).