4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C12H17N3O4 — CID 79525325

IUPAC4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-10(9-6-14-12(19)15-9)13-5-7-1-3-8(4-2-7)11(17)18/h6-8H,1-5H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJIMXTYKFQUWIMQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.32
Rot. Bonds4

About 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525325) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525325
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-10(9-6-14-12(19)15-9)13-5-7-1-3-8(4-2-7)11(17)18/h6-8H,1-5H2,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJIMXTYKFQUWIMQ-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525325) is 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JIMXTYKFQUWIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10(9-6-14-12(19)15-9)13-5-7-1-3-8(4-2-7)11(17)18/h6-8H,1-5H2,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).