(2S)-2-methyl-4-oxooxolane-2-carboxamide

C6H9NO3 — CID 173184063

IUPAC(2S)-2-methyl-4-oxooxolane-2-carboxamide
SMILESC[C@@]1(C(N)=O)CC(=O)CO1
InChIInChI=1S/C6H9NO3/c1-6(5(7)9)2-4(8)3-10-6/h2-3H2,1H3,(H2,7,9)/t6-/m0/s1
InChIKeyGBAOLKDWVHCLBX-LURJTMIESA-N
MW143.14 g/mol
LogP-0.78
Rot. Bonds1

About (2S)-2-methyl-4-oxooxolane-2-carboxamide

(2S)-2-methyl-4-oxooxolane-2-carboxamide (PubChem CID 173184063) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-methyl-4-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-oxooxolane-2-carboxamide
PubChem CID173184063
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-methyl-4-oxooxolane-2-carboxamide
SMILESC[C@@]1(C(N)=O)CC(=O)CO1
InChIInChI=1S/C6H9NO3/c1-6(5(7)9)2-4(8)3-10-6/h2-3H2,1H3,(H2,7,9)/t6-/m0/s1
InChIKeyGBAOLKDWVHCLBX-LURJTMIESA-N
XLogP-0.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-oxooxolane-2-carboxamide?
The IUPAC name of (2S)-2-methyl-4-oxooxolane-2-carboxamide (CID 173184063) is (2S)-2-methyl-4-oxooxolane-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-4-oxooxolane-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-4-oxooxolane-2-carboxamide is C[C@@]1(C(N)=O)CC(=O)CO1.
What is the InChIKey of (2S)-2-methyl-4-oxooxolane-2-carboxamide?
The InChIKey is GBAOLKDWVHCLBX-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(5(7)9)2-4(8)3-10-6/h2-3H2,1H3,(H2,7,9)/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-4-oxooxolane-2-carboxamide?
(2S)-2-methyl-4-oxooxolane-2-carboxamide has a molecular weight of 143.14 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-oxooxolane-2-carboxamide is sourced from PubChem (CID 173184063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).