1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

C14H22N4O3 — CID 107498598

IUPAC1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-2-18(8-11-4-3-5-11)14(21)15-6-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyIHVBUFLVQPFTDA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107498598) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107498598
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H22N4O3/c1-2-18(8-11-4-3-5-11)14(21)15-6-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyIHVBUFLVQPFTDA-UHFFFAOYSA-N
XLogP1.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107498598) is 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is CCN(CC1CCC1)C(=O)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is IHVBUFLVQPFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-18(8-11-4-3-5-11)14(21)15-6-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).