(3S)-oxolane-3-carboxamide

C5H9NO2 — CID 67048684

IUPAC(3S)-oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCOC1
InChIInChI=1S/C5H9NO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)/t4-/m0/s1
InChIKeyDUXPFRRFZLRICX-BYPYZUCNSA-N
MW115.13 g/mol
LogP-0.49
Rot. Bonds1

About (3S)-oxolane-3-carboxamide

(3S)-oxolane-3-carboxamide (PubChem CID 67048684) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3S)-oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-oxolane-3-carboxamide
PubChem CID67048684
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3S)-oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCOC1
InChIInChI=1S/C5H9NO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)/t4-/m0/s1
InChIKeyDUXPFRRFZLRICX-BYPYZUCNSA-N
XLogP-0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-oxolane-3-carboxamide?
The IUPAC name of (3S)-oxolane-3-carboxamide (CID 67048684) is (3S)-oxolane-3-carboxamide.
What is the SMILES notation for (3S)-oxolane-3-carboxamide?
The canonical SMILES for (3S)-oxolane-3-carboxamide is NC(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-oxolane-3-carboxamide?
The InChIKey is DUXPFRRFZLRICX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)/t4-/m0/s1.
What are the key properties of (3S)-oxolane-3-carboxamide?
(3S)-oxolane-3-carboxamide has a molecular weight of 115.13 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-oxolane-3-carboxamide is sourced from PubChem (CID 67048684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).