2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C13H20N4O3 — CID 61183362

IUPAC2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCC(C)N(C)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C13H20N4O3/c1-8(2)17(3)12(20)16-13(5-4-6-13)11-14-7-9(15-11)10(18)19/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyLHUMHLWALUVEIH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 61183362) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID61183362
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCC(C)N(C)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C13H20N4O3/c1-8(2)17(3)12(20)16-13(5-4-6-13)11-14-7-9(15-11)10(18)19/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyLHUMHLWALUVEIH-UHFFFAOYSA-N
XLogP1.54
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197671
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
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-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829755
2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829408
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 107937794
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 79815144
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61270501
2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197046

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 61183362) is 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is CC(C)N(C)C(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is LHUMHLWALUVEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)17(3)12(20)16-13(5-4-6-13)11-14-7-9(15-11)10(18)19/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).