4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid

C11H17NO4 — CID 19909170

IUPAC4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OCC1CC1CCCCC1
InChIInChI=1S/C11H17NO4/c13-10(14)12-9(7-16-11(12)15)6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,14)
InChIKeyGYBOPELVLWMNTQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.46
Rot. Bonds2

About 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid

4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 19909170) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID19909170
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OCC1CC1CCCCC1
InChIInChI=1S/C11H17NO4/c13-10(14)12-9(7-16-11(12)15)6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,14)
InChIKeyGYBOPELVLWMNTQ-UHFFFAOYSA-N
XLogP2.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 19909170) is 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OCC1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is GYBOPELVLWMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(14)12-9(7-16-11(12)15)6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,14).
What are the key properties of 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 19909170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).