2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide

C6H8ClNO4 — CID 165451740

IUPAC2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide
SMILESO=C(CCl)N[C@@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C6H8ClNO4/c7-1-4(10)8-5-3(9)2-12-6(5)11/h3,5,9H,1-2H2,(H,8,10)/t3-,5-/m0/s1
InChIKeyBBUFMJHMKSFHLZ-UCORVYFPSA-N
MW193.59 g/mol
LogP-1.37
Rot. Bonds2

About 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide

2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide (PubChem CID 165451740) has the molecular formula C6H8ClNO4 and a molecular weight of 193.59 g/mol. Its IUPAC name is 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide
PubChem CID165451740
Molecular FormulaC6H8ClNO4
Molecular Weight193.59 g/mol
Exact Mass193.01
IUPAC Name2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide
SMILESO=C(CCl)N[C@@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C6H8ClNO4/c7-1-4(10)8-5-3(9)2-12-6(5)11/h3,5,9H,1-2H2,(H,8,10)/t3-,5-/m0/s1
InChIKeyBBUFMJHMKSFHLZ-UCORVYFPSA-N
XLogP-1.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.59
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(3R,4S)-4-hydroxy-2-oxooxolan-3-yl]butanamide
CID 165451749
2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 146077159
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
CID 131037907
[(3R,4R,5R,6R)-4,5-diacetyloxy-7-oxo-6-(propanoylamino)oxepan-3-yl] acetate
CID 54215651
2-chloro-N-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]acetamide
CID 146094463
[(3R,4R,5R)-4,5-dihydroxy-2-oxooxan-3-yl] propanoate
CID 70248013
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
(3R,4S,5R,6R)-4,5,6-trihydroxy-3-sulfanyloxepan-2-one
CID 89253142
3-chloro-N-[4-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide
CID 71440129
2-chloro-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
CID 177333349
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide (CID 165451740) is 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide is O=C(CCl)N[C@@H]1C(=O)OC[C@@H]1O.
What is the InChIKey of 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide?
The InChIKey is BBUFMJHMKSFHLZ-UCORVYFPSA-N. The full InChI is InChI=1S/C6H8ClNO4/c7-1-4(10)8-5-3(9)2-12-6(5)11/h3,5,9H,1-2H2,(H,8,10)/t3-,5-/m0/s1.
What are the key properties of 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide?
2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide has a molecular weight of 193.59 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 165451740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).