N-[(3S)-2-oxooxolan-3-yl]propanamide

C7H11NO3 — CID 22879156

IUPACN-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyBHUQNXLFFUYMDZ-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About N-[(3S)-2-oxooxolan-3-yl]propanamide

N-[(3S)-2-oxooxolan-3-yl]propanamide (PubChem CID 22879156) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]propanamide
PubChem CID22879156
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyBHUQNXLFFUYMDZ-YFKPBYRVSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]propanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]propanamide (CID 22879156) is N-[(3S)-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]propanamide is CCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]propanamide?
The InChIKey is BHUQNXLFFUYMDZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]propanamide?
N-[(3S)-2-oxooxolan-3-yl]propanamide has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 22879156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).