1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C11H18N4O4 — CID 107498454

IUPAC1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCOC(C)CNC(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H18N4O4/c1-8(19-2)5-13-11(18)12-3-4-15-6-9(10(16)17)14-7-15/h6-8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyOMSKTUWEIWCFOL-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.08
Rot. Bonds7

About 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107498454) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107498454
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCOC(C)CNC(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H18N4O4/c1-8(19-2)5-13-11(18)12-3-4-15-6-9(10(16)17)14-7-15/h6-8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyOMSKTUWEIWCFOL-UHFFFAOYSA-N
XLogP-0.08
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352
1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496939
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497349
1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497167
1-[2-[(2-ethoxy-2-methylpropyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498437
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107498454) is 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is COC(C)CNC(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is OMSKTUWEIWCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(19-2)5-13-11(18)12-3-4-15-6-9(10(16)17)14-7-15/h6-8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).