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

C11H17NO4 — CID 22842561

IUPAC(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC[C@@H]1CC1CCCCC1
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)/t9-/m0/s1
InChIKeyGYBOPELVLWMNTQ-VIFPVBQESA-N
MW227.26 g/mol
LogP2.46
Rot. Bonds2

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

(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22842561) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID22842561
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC[C@@H]1CC1CCCCC1
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)/t9-/m0/s1
InChIKeyGYBOPELVLWMNTQ-VIFPVBQESA-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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Related Compounds

(4S)-4-(cyclohexylmethyl)-3-[(1S)-3,3-difluoro-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 54052496
(4S)-4-[(1-fluorocyclohexyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 143486936
(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 122212383
4-(Cyclohexylmethyl)-3-propanoyl-1,3-oxazolidin-2-one
CID 44228300
(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
CID 18632974
4-(Cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 19909170
4-(Cyclohexylmethyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid, 1,1-dimethylethyl ester
CID 21624152
4-(Cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 21654838
tert-butyl (4S)-4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 53652397
3-Tert-butyl-5-cyclohexyl-1,3-oxazolidin-2-one
CID 59135095
(4S,5R)-3-tert-butyl-5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 59135142
4-Cyclohexyl-3-methyl-1,3-oxazolidin-2-one
CID 67550689

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 22842561) is (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC[C@@H]1CC1CCCCC1.
What is the InChIKey of (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is GYBOPELVLWMNTQ-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
(4S)-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 (4S)-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22842561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).