4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C11H16N2O5 — CID 82881385

IUPAC4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCCOCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O5/c1-7-10(11(15)16)8(5-12-7)13-9(14)6-18-4-3-17-2/h5,12H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYWDUNFIAPWQWCG-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.62
Rot. Bonds7

About 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82881385) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82881385
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCCOCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O5/c1-7-10(11(15)16)8(5-12-7)13-9(14)6-18-4-3-17-2/h5,12H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYWDUNFIAPWQWCG-UHFFFAOYSA-N
XLogP0.62
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82876118
4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875969
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82880759
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880578
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82881385) is 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is COCCOCC(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is YWDUNFIAPWQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-10(11(15)16)8(5-12-7)13-9(14)6-18-4-3-17-2/h5,12H,3-4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82881385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).