2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C14H21N3O4 — CID 103018340

IUPAC2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCOC(C)(C)CC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H21N3O4/c1-13(2,21-3)7-10(18)17-14(5-4-6-14)12-15-8-9(16-12)11(19)20/h8H,4-7H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyQSKWMBHKCADKCT-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.42
Rot. Bonds6

About 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 103018340) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID103018340
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCOC(C)(C)CC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C14H21N3O4/c1-13(2,21-3)7-10(18)17-14(5-4-6-14)12-15-8-9(16-12)11(19)20/h8H,4-7H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyQSKWMBHKCADKCT-UHFFFAOYSA-N
XLogP1.42
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 103018340) is 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is COC(C)(C)CC(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is QSKWMBHKCADKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-13(2,21-3)7-10(18)17-14(5-4-6-14)12-15-8-9(16-12)11(19)20/h8H,4-7H2,1-3H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 103018340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).