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

C7H11NO3 — CID 131037907

IUPACN-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-4-3-11-7(10)6(4)8-5(2)9/h4,6H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1
InChIKeyABNUGWRZSYVEEW-NJGYIYPDSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds1

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

N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide (PubChem CID 131037907) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
PubChem CID131037907
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-4-3-11-7(10)6(4)8-5(2)9/h4,6H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1
InChIKeyABNUGWRZSYVEEW-NJGYIYPDSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
CID 42627356
3,4-dimethyloxolan-2-one
CID 15090448
4-methyl-3-(thiolan-2-ylmethylamino)oxolan-2-one
CID 130618861
(3S,4R,5S)-4-hydroxy-5-methyl-3-propyloxan-2-one
CID 142808354
2-chloro-N-[(3S,4R)-4-hydroxy-2-oxooxolan-3-yl]acetamide
CID 165451740
methyl (3R,4R)-4-acetamido-3,6-dimethyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 102481663
N-(4-oxooxolan-3-yl)acetamide
CID 123326403
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
(3S,4S)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951612
4-methyl-5-oxooxolane-3-carboxylic acid
CID 166063957
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951610

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide (CID 131037907) is N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)OC[C@@H]1C.
What is the InChIKey of N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide?
The InChIKey is ABNUGWRZSYVEEW-NJGYIYPDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-3-11-7(10)6(4)8-5(2)9/h4,6H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide?
N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide has a molecular weight of 157.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methyl-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 131037907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).