2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

C12H17N3O4 — CID 54902049

IUPAC2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-10(8-6-13-12(19)14-8)15-9(11(17)18)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyQLXLAVMEJKRHES-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.47
Rot. Bonds4

About 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 54902049) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID54902049
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-10(8-6-13-12(19)14-8)15-9(11(17)18)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,15,16)(H,17,18)(H2,13,14,19)
InChIKeyQLXLAVMEJKRHES-UHFFFAOYSA-N
XLogP0.47
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 54902049) is 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is QLXLAVMEJKRHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10(8-6-13-12(19)14-8)15-9(11(17)18)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,15,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 54902049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).