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

C7H11NO4 — CID 14310923

IUPAC(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCC[C@@H]1OC(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-4-5(6(9)10)8-7(11)12-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m0/s1
InChIKeyMEJPVOVBRSHBEN-WHFBIAKZSA-N
MW173.17 g/mol
LogP0.35
Rot. Bonds3

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

(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 14310923) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID14310923
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCC[C@@H]1OC(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3-4-5(6(9)10)8-7(11)12-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m0/s1
InChIKeyMEJPVOVBRSHBEN-WHFBIAKZSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-butyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 175653837
(4S,5R)-5-heptyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698621
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
ethyl 5-butyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842666
(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10290857
(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
CID 10797671
(2S,3S,4S)-4-methyl-5-oxo-2-propyloxolane-3-carboxylic acid
CID 100992278
5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one
CID 15847421
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698620

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid (CID 14310923) is (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid is CCC[C@@H]1OC(=O)N[C@@H]1C(=O)O.
What is the InChIKey of (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is MEJPVOVBRSHBEN-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-3-4-5(6(9)10)8-7(11)12-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid?
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 14310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).