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

C9H13NO3 — CID 130916857

IUPACN-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCOC1=O)C1CCC1
InChIInChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyAATBXQSDZWZPKZ-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds2

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

N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide (PubChem CID 130916857) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide
PubChem CID130916857
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCOC1=O)C1CCC1
InChIInChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11)/t7-/m0/s1
InChIKeyAATBXQSDZWZPKZ-ZETCQYMHSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
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]cyclobutanecarboxamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide (CID 130916857) is N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide is O=C(N[C@H]1CCOC1=O)C1CCC1.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide?
The InChIKey is AATBXQSDZWZPKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide?
N-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide has a molecular weight of 183.21 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-[(3S)-2-oxooxolan-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 130916857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).