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

C11H17N3O4 — CID 102699731

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

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

3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 102699731) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID102699731
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOC(C)CNC(=O)Nc1cc(C)[nH]c1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6-4-8(9(13-6)10(15)16)14-11(17)12-5-7(2)18-3/h4,7,13H,5H2,1-3H3,(H,15,16)(H2,12,14,17)
InChIKeyFQMCPNNNTQUQPZ-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

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Related Compounds

3-[(3-methoxy-2-methylpropyl)carbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483193
3-(2-methoxypropylcarbamoylamino)-4-methylbenzoic acid
CID 102699684
5-methyl-3-(2-methylsulfinylethylcarbamoylamino)-1H-pyrrole-2-carboxylic acid
CID 113483228
5-methyl-3-(2-methylpentan-3-ylcarbamoylamino)-1H-pyrrole-2-carboxylic acid
CID 113483186
3-(hexylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483206
5-methyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
CID 114469346
3-(3-ethylsulfanylpropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid
CID 114248386
5-methyl-3-(3-methylpentanoylamino)-1H-pyrrole-2-carboxylic acid
CID 114873872
5-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
CID 106404755
5-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-1H-pyrrole-2-carboxylic acid
CID 113483116
2-bromo-5-(2-methoxypropylcarbamoylamino)benzoic acid
CID 102699767
1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3463712

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid (CID 102699731) is 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid is COC(C)CNC(=O)Nc1cc(C)[nH]c1C(=O)O.
What is the InChIKey of 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is FQMCPNNNTQUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-4-8(9(13-6)10(15)16)14-11(17)12-5-7(2)18-3/h4,7,13H,5H2,1-3H3,(H,15,16)(H2,12,14,17).
What are the key properties of 3-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid?
3-(2-methoxypropylcarbamoylamino)-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-(2-methoxypropylcarbamoylamino)-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 102699731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).