(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide

C8H15NO3 — CID 129450869

IUPAC(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C8H15NO3/c1-6-4-7(12-5-6)8(10)9(2)11-3/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyCXYZOIUKEBKMGV-RQJHMYQMSA-N
MW173.21 g/mol
LogP0.43
Rot. Bonds2

About (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide

(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide (PubChem CID 129450869) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide
PubChem CID129450869
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C8H15NO3/c1-6-4-7(12-5-6)8(10)9(2)11-3/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyCXYZOIUKEBKMGV-RQJHMYQMSA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide?
The IUPAC name of (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide (CID 129450869) is (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide is CON(C)C(=O)[C@@H]1C[C@@H](C)CO1.
What is the InChIKey of (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide?
The InChIKey is CXYZOIUKEBKMGV-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-4-7(12-5-6)8(10)9(2)11-3/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide?
(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide has a molecular weight of 173.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 129450869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).