2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid

C13H20N4O3 — CID 64523352

IUPAC2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1ncc[nH]1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H20N4O3/c18-12(19)11(9-4-2-1-3-5-9)17-13(20)16-8-10-14-6-7-15-10/h6-7,9,11H,1-5,8H2,(H,14,15)(H,18,19)(H2,16,17,20)
InChIKeyGFVVAQJKULIUTE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.24
Rot. Bonds5

About 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid

2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid (PubChem CID 64523352) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
PubChem CID64523352
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
SMILESO=C(NCc1ncc[nH]1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H20N4O3/c18-12(19)11(9-4-2-1-3-5-9)17-13(20)16-8-10-14-6-7-15-10/h6-7,9,11H,1-5,8H2,(H,14,15)(H,18,19)(H2,16,17,20)
InChIKeyGFVVAQJKULIUTE-UHFFFAOYSA-N
XLogP1.24
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-(1H-imidazol-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 64523153
(2S)-2-(1H-imidazol-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 64525321
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
N-(1H-imidazol-2-ylmethyl)thiolane-2-carboxamide
CID 64531828
2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63824705
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid (CID 64523352) is 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid is O=C(NCc1ncc[nH]1)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid?
The InChIKey is GFVVAQJKULIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-12(19)11(9-4-2-1-3-5-9)17-13(20)16-8-10-14-6-7-15-10/h6-7,9,11H,1-5,8H2,(H,14,15)(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid is sourced from PubChem (CID 64523352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).