4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid

C11H15N3O4 — CID 107214863

IUPAC4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H15N3O4/c15-7-4-2-1-3-6(7)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18)/t6-,7-/m1/s1
InChIKeyCBLCNFJUMSVOIB-RNFRBKRXSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds3

About 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid

4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 107214863) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID107214863
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H15N3O4/c15-7-4-2-1-3-6(7)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18)/t6-,7-/m1/s1
InChIKeyCBLCNFJUMSVOIB-RNFRBKRXSA-N
XLogP0.14
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 106359274
4-[(3-methylsulfanylcyclohexyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114122595
4-[(2,2-diethyloxan-4-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 83035205
5-N-(cyclohexylmethyl)-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 46264337
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 107214962
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 94548891
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid (CID 107214863) is 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(N[C@@H]1CCCC[C@H]1O)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is CBLCNFJUMSVOIB-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-4-2-1-3-6(7)14-10(16)8-9(11(17)18)13-5-12-8/h5-7,15H,1-4H2,(H,12,13)(H,14,16)(H,17,18)/t6-,7-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 107214863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).