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

C11H15N3O4 — CID 82880580

IUPAC4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-10(11(17)18)8(4-12-6)13-9(16)5-14(3)7(2)15/h4,12H,5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyWQKQKVXKNHVUPY-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.44
Rot. Bonds4

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

4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880580) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880580
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCC(=O)N(C)CC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-10(11(17)18)8(4-12-6)13-9(16)5-14(3)7(2)15/h4,12H,5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyWQKQKVXKNHVUPY-UHFFFAOYSA-N
XLogP0.44
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881385
2-methyl-4-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881481
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877147
2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82876118
4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881011
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
2-[[2-[acetyl(methyl)amino]acetyl]amino]-5-fluorobenzoic acid
CID 43359616
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
2-[acetyl(methyl)amino]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610237
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880580) is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is CC(=O)N(C)CC(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is WQKQKVXKNHVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-10(11(17)18)8(4-12-6)13-9(16)5-14(3)7(2)15/h4,12H,5H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).