2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid

C11H16N2O4 — CID 119189517

IUPAC2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1c[nH]cc1C
InChIInChI=1S/C11H16N2O4/c1-8-5-12-6-9(8)11(16)13(3-4-17-2)7-10(14)15/h5-6,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHMCMSZKENSDKKH-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.50
Rot. Bonds6

About 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid (PubChem CID 119189517) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
PubChem CID119189517
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1c[nH]cc1C
InChIInChI=1S/C11H16N2O4/c1-8-5-12-6-9(8)11(16)13(3-4-17-2)7-10(14)15/h5-6,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHMCMSZKENSDKKH-UHFFFAOYSA-N
XLogP0.50
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[(4-chloro-2,5-difluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 82782990
2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[2-methoxyethyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid (CID 119189517) is 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1c[nH]cc1C.
What is the InChIKey of 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The InChIKey is HMCMSZKENSDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-5-12-6-9(8)11(16)13(3-4-17-2)7-10(14)15/h5-6,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).