(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione

C5H7NO4 — CID 55286274

IUPAC(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](O)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C5H7NO4/c1-2(7)3-4(8)10-5(9)6-3/h2-3,7H,1H3,(H,6,9)/t2-,3+/m1/s1
InChIKeyHUKWNEDRRBXWKG-GBXIJSLDSA-N
MW145.11 g/mol
LogP-1.00
Rot. Bonds1

About (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione

(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione (PubChem CID 55286274) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione
PubChem CID55286274
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](O)[C@@H]1NC(=O)OC1=O
InChIInChI=1S/C5H7NO4/c1-2(7)3-4(8)10-5(9)6-3/h2-3,7H,1H3,(H,6,9)/t2-,3+/m1/s1
InChIKeyHUKWNEDRRBXWKG-GBXIJSLDSA-N
XLogP-1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 11412450
(4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052097
N-(tert-butyloxycarbonyl)-L-threonine
CID 100116
(s)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385463
N-tert-Butoxycarbonyl-L-threonine
CID 2724766
(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid
CID 6992538
(2R,3S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acid
CID 6992541
(2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 7015770
(2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxybutanoic acid
CID 15460346
(4R,5S)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 45084654
(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid
CID 59540170
(2S)-2-(tert-butoxycarbonylamino)-3-hydroxybutanoic acid
CID 2729877

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione (CID 55286274) is (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione is C[C@@H](O)[C@@H]1NC(=O)OC1=O.
What is the InChIKey of (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is HUKWNEDRRBXWKG-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2(7)3-4(8)10-5(9)6-3/h2-3,7H,1H3,(H,6,9)/t2-,3+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione?
(4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 145.11 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 55286274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).