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

C8H13NO3 — CID 59872963

IUPACN-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H13NO3/c1-5(9-6(2)10)7-3-4-8(11)12-7/h5,7H,3-4H2,1-2H3,(H,9,10)/t5-,7+/m0/s1
InChIKeyQEILXUAKQVKTAP-CAHLUQPWSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds2

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

N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide (PubChem CID 59872963) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide
PubChem CID59872963
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H]1CCC(=O)O1
InChIInChI=1S/C8H13NO3/c1-5(9-6(2)10)7-3-4-8(11)12-7/h5,7H,3-4H2,1-2H3,(H,9,10)/t5-,7+/m0/s1
InChIKeyQEILXUAKQVKTAP-CAHLUQPWSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Oxo-tetrahydro-furan-2-ylmethyl)-acetamide
CID 533856
N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide
CID 11240869
(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one
CID 130967151
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
CID 146167866
5-(1-Acetoxyethyl)pyrrolidin-2-one
CID 14832607
N-[1-(4-methyl-5-oxooxolan-2-yl)ethyl]acetamide
CID 20577894
N-[1-(5-oxooxolan-2-yl)ethyl]acetamide
CID 20736430
5-(5-Oxooxolan-2-yl)pyrrolidin-2-one
CID 25063941
7-(5-Oxooxolan-2-yl)azepan-2-one
CID 57057540
(5S)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one
CID 58249806
N-[(1S)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]acetamide
CID 59872962
3-Methyl-5-[1-(methylamino)ethyl]oxolan-2-one
CID 59877196

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide (CID 59872963) is N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)[C@H]1CCC(=O)O1.
What is the InChIKey of N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide?
The InChIKey is QEILXUAKQVKTAP-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(9-6(2)10)7-3-4-8(11)12-7/h5,7H,3-4H2,1-2H3,(H,9,10)/t5-,7+/m0/s1.
What are the key properties of N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide?
N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]ethyl]acetamide has a molecular weight of 171.20 g/mol, XLogP of 0.22, 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)-5-oxooxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 59872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).