3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid

C11H16N2O4 — CID 114608589

IUPAC3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCOCCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-17-8-7-13-6-2-3-9(13)11(16)12-5-4-10(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyQVZVBLKKWIPQQU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid

3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid (PubChem CID 114608589) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
PubChem CID114608589
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCOCCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-17-8-7-13-6-2-3-9(13)11(16)12-5-4-10(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyQVZVBLKKWIPQQU-UHFFFAOYSA-N
XLogP0.34
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-2-methylpentanoic acid
CID 114609134
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 114608778
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid (CID 114608589) is 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid is COCCn1cccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
The InChIKey is QVZVBLKKWIPQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-8-7-13-6-2-3-9(13)11(16)12-5-4-10(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid?
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 114608589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).