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

C12H18N4O3 — CID 107496897

IUPAC1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCN(C(=O)NCCn1cnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H18N4O3/c1-2-16(9-3-4-9)12(19)13-5-6-15-7-10(11(17)18)14-8-15/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyAFTVZPQOZLMPIG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.78
Rot. Bonds6

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

1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496897) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496897
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESCCN(C(=O)NCCn1cnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C12H18N4O3/c1-2-16(9-3-4-9)12(19)13-5-6-15-7-10(11(17)18)14-8-15/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyAFTVZPQOZLMPIG-UHFFFAOYSA-N
XLogP0.78
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497710
1-[2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497903
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
1-[2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107498598
1-[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497150
1-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496620
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497496
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500551
1-[2-[[ethyl(prop-2-enyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497894
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107496897) is 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is CCN(C(=O)NCCn1cnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is AFTVZPQOZLMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-16(9-3-4-9)12(19)13-5-6-15-7-10(11(17)18)14-8-15/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).