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

C5H7NO4 — CID 10290857

IUPAC(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OC(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3-/m0/s1
InChIKeyKYNKAUUXUQOZSQ-HRFVKAFMSA-N
MW145.11 g/mol
LogP-0.43
Rot. Bonds1

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

(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 10290857) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID10290857
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESC[C@@H]1OC(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3-/m0/s1
InChIKeyKYNKAUUXUQOZSQ-HRFVKAFMSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 131104163
3-[(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]propanoic acid
CID 166393134
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 14310923
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 171036716
(4S,5R)-5-butyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 175653837
S-(4-methylphenyl) (4R,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carbothioate
CID 101446378
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
(4S,5R)-5-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698620
5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 112710543
(4S,5R)-5-heptyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698621
(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
CID 23246426
(4R,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 11147728

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 10290857) is (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is C[C@@H]1OC(=O)N[C@@H]1C(=O)O.
What is the InChIKey of (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is KYNKAUUXUQOZSQ-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3-/m0/s1.
What are the key properties of (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 10290857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).