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

C12H18N4O3 — CID 107496939

IUPAC1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCC(NC(=O)NCCn1cnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H18N4O3/c1-8(9-2-3-9)15-12(19)13-4-5-16-6-10(11(17)18)14-7-16/h6-9H,2-5H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyDUCNXTNHSADGRW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.68
Rot. Bonds6

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

1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107496939) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107496939
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESCC(NC(=O)NCCn1cnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H18N4O3/c1-8(9-2-3-9)15-12(19)13-4-5-16-6-10(11(17)18)14-7-16/h6-9H,2-5H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyDUCNXTNHSADGRW-UHFFFAOYSA-N
XLogP0.68
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(2-methoxypropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498454
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
1-[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496633
1-[2-(cycloheptanecarbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496991
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500551
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107496939) is 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is CC(NC(=O)NCCn1cnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is DUCNXTNHSADGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(9-2-3-9)15-12(19)13-4-5-16-6-10(11(17)18)14-7-16/h6-9H,2-5H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).