1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

C12H20N4O4 — CID 107497167

IUPAC1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCOCC(C)N(C)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C12H20N4O4/c1-9(7-20-3)15(2)12(19)13-4-5-16-6-10(11(17)18)14-8-16/h6,8-9H,4-5,7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyJRKVLSIDNACUBV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.26
Rot. Bonds7

About 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497167) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497167
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCOCC(C)N(C)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C12H20N4O4/c1-9(7-20-3)15(2)12(19)13-4-5-16-6-10(11(17)18)14-8-16/h6,8-9H,4-5,7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyJRKVLSIDNACUBV-UHFFFAOYSA-N
XLogP0.26
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497349
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497302
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498454
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[[ethyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497894
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-(2-methylpropoxy)ethyl]imidazole-4-carboxylic acid
CID 106716915

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107497167) is 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is COCC(C)N(C)C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is JRKVLSIDNACUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-9(7-20-3)15(2)12(19)13-4-5-16-6-10(11(17)18)14-8-16/h6,8-9H,4-5,7H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).