(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

C10H15NO4 — CID 15698620

IUPAC(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C10H15NO4/c12-9(13)7-8(15-10(14)11-7)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,11,14)(H,12,13)/t7-,8+/m0/s1
InChIKeyCLRAEBBDRPIBHM-JGVFFNPUSA-N
MW213.23 g/mol
LogP1.13
Rot. Bonds2

About (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 15698620) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID15698620
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C10H15NO4/c12-9(13)7-8(15-10(14)11-7)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,11,14)(H,12,13)/t7-,8+/m0/s1
InChIKeyCLRAEBBDRPIBHM-JGVFFNPUSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 15698620) is (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is O=C1N[C@H](C(=O)O)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CLRAEBBDRPIBHM-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(13)7-8(15-10(14)11-7)6-4-2-1-3-5-6/h6-8H,1-5H2,(H,11,14)(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 15698620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).