2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

C14H20N4O3 — CID 61197046

IUPAC2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NCC1CCC1)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H20N4O3/c19-11(20)10-8-15-12(17-10)14(5-2-6-14)18-13(21)16-7-9-3-1-4-9/h8-9H,1-7H2,(H,15,17)(H,19,20)(H2,16,18,21)
InChIKeyIXFSZIGBYVEMCV-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 61197046) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID61197046
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(NCC1CCC1)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H20N4O3/c19-11(20)10-8-15-12(17-10)14(5-2-6-14)18-13(21)16-7-9-3-1-4-9/h8-9H,1-7H2,(H,15,17)(H,19,20)(H2,16,18,21)
InChIKeyIXFSZIGBYVEMCV-UHFFFAOYSA-N
XLogP1.59
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60828908
2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 103018340
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61169033
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 107937794
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61183362
2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197671
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
CID 116777785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 61197046) is 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is O=C(NCC1CCC1)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is IXFSZIGBYVEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-11(20)10-8-15-12(17-10)14(5-2-6-14)18-13(21)16-7-9-3-1-4-9/h8-9H,1-7H2,(H,15,17)(H,19,20)(H2,16,18,21).
What are the key properties of 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61197046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).