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

C8H13NO3 — CID 10130163

IUPACN-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyVFFNZZXXTGXBOG-LURJTMIESA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

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

N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 10130163) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID10130163
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyVFFNZZXXTGXBOG-LURJTMIESA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 10130163) is N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]butanamide is CCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is VFFNZZXXTGXBOG-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]butanamide?
N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 171.20 g/mol, XLogP of 0.22, 3 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]butanamide is sourced from PubChem (CID 10130163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).