3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid

C11H17N3O4 — CID 113483155

IUPAC3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOCC(C)NC(=O)Nc1cc(C)[nH]c1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6-4-8(9(12-6)10(15)16)14-11(17)13-7(2)5-18-3/h4,7,12H,5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyXOTKYVUSNUTZLK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.18
Rot. Bonds5

About 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid

3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 113483155) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID113483155
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOCC(C)NC(=O)Nc1cc(C)[nH]c1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6-4-8(9(12-6)10(15)16)14-11(17)13-7(2)5-18-3/h4,7,12H,5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyXOTKYVUSNUTZLK-UHFFFAOYSA-N
XLogP1.18
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methoxy-2-methylpropyl)carbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483193
5-methyl-3-(2-methylpentan-3-ylcarbamoylamino)-1H-pyrrole-2-carboxylic acid
CID 113483186
3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
CID 102699731
3-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62948247
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
5-methyl-3-(3-methylpentanoylamino)-1H-pyrrole-2-carboxylic acid
CID 114873872
5-methyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
CID 114469346
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
5-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-1H-pyrrole-2-carboxylic acid
CID 113483116
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid (CID 113483155) is 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid is COCC(C)NC(=O)Nc1cc(C)[nH]c1C(=O)O.
What is the InChIKey of 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is XOTKYVUSNUTZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-4-8(9(12-6)10(15)16)14-11(17)13-7(2)5-18-3/h4,7,12H,5H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 113483155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).