trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid

C11H14N2O4 — CID 163646178

IUPACtrans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@H]1C(=O)O)c1ccno1
InChIInChI=1S/C11H14N2O4/c14-10(9-5-6-12-17-9)13-8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyIIKCOPOYTULFLM-HTQZYQBOSA-N
MW238.24 g/mol
LogP1.05
Rot. Bonds3

About trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 163646178) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID163646178
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nametrans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@H]1C(=O)O)c1ccno1
InChIInChI=1S/C11H14N2O4/c14-10(9-5-6-12-17-9)13-8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyIIKCOPOYTULFLM-HTQZYQBOSA-N
XLogP1.05
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid (CID 163646178) is trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid is O=C(N[C@@H]1CCCC[C@H]1C(=O)O)c1ccno1.
What is the InChIKey of trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IIKCOPOYTULFLM-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(9-5-6-12-17-9)13-8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,2-oxazole-5-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 163646178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).