N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide

C9H15NO3 — CID 59872962

IUPACN-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C9H15NO3/c1-5-4-8(13-9(5)12)6(2)10-7(3)11/h5-6,8H,4H2,1-3H3,(H,10,11)/t5-,6+,8-/m1/s1
InChIKeyJOUDWHFTMDFROR-GKROBHDKSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds2

About N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide

N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide (PubChem CID 59872962) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
PubChem CID59872962
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C9H15NO3/c1-5-4-8(13-9(5)12)6(2)10-7(3)11/h5-6,8H,4H2,1-3H3,(H,10,11)/t5-,6+,8-/m1/s1
InChIKeyJOUDWHFTMDFROR-GKROBHDKSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 10989767
tert-butyl N-[(1S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]butyl]carbamate
CID 11054783
tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
CID 14076787
N-[1-(oxolan-2-yl)ethyl]cyclopentanecarboxamide
CID 6465968
N-[1-(tetrahydrofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 17330466
tert-butyl N-[(1S)-2-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042857
tert-butyl N-[(1S)-2-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]propyl]carbamate
CID 12042858
tert-butyl N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
tert-butyl N-[3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate
CID 14076786
tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate
CID 18656645
N-[1-(4-methyl-5-oxooxolan-2-yl)ethyl]acetamide
CID 20577894
N-[1-(5-oxooxolan-2-yl)ethyl]acetamide
CID 20736430

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide (CID 59872962) is N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)[C@H]1C[C@@H](C)C(=O)O1.
What is the InChIKey of N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide?
The InChIKey is JOUDWHFTMDFROR-GKROBHDKSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-4-8(13-9(5)12)6(2)10-7(3)11/h5-6,8H,4H2,1-3H3,(H,10,11)/t5-,6+,8-/m1/s1.
What are the key properties of N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide?
N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 59872962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).