1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid

C11H16N2O4 — CID 79103179

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
SMILESCOCCCNC(=O)Cn1ccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4/c1-17-6-2-4-12-10(14)8-13-5-3-9(7-13)11(15)16/h3,5,7H,2,4,6,8H2,1H3,(H,12,14)(H,15,16)
InChIKeyZZADSCSCFCDXAA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid

1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid (PubChem CID 79103179) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
PubChem CID79103179
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
SMILESCOCCCNC(=O)Cn1ccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4/c1-17-6-2-4-12-10(14)8-13-5-3-9(7-13)11(15)16/h3,5,7H,2,4,6,8H2,1H3,(H,12,14)(H,15,16)
InChIKeyZZADSCSCFCDXAA-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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622294
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid (CID 79103179) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid is COCCCNC(=O)Cn1ccc(C(=O)O)c1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
The InChIKey is ZZADSCSCFCDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-6-2-4-12-10(14)8-13-5-3-9(7-13)11(15)16/h3,5,7H,2,4,6,8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic 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 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 79103179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).