(3S)-N-methoxy-N-methyloxolane-3-carboxamide

C7H13NO3 — CID 93496983

IUPAC(3S)-N-methoxy-N-methyloxolane-3-carboxamide
SMILESCON(C)C(=O)[C@H]1CCOC1
InChIInChI=1S/C7H13NO3/c1-8(10-2)7(9)6-3-4-11-5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDKBCSKRFSZEHFE-LURJTMIESA-N
MW159.19 g/mol
LogP0.04
Rot. Bonds2

About (3S)-N-methoxy-N-methyloxolane-3-carboxamide

(3S)-N-methoxy-N-methyloxolane-3-carboxamide (PubChem CID 93496983) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (3S)-N-methoxy-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N-methyloxolane-3-carboxamide
PubChem CID93496983
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(3S)-N-methoxy-N-methyloxolane-3-carboxamide
SMILESCON(C)C(=O)[C@H]1CCOC1
InChIInChI=1S/C7H13NO3/c1-8(10-2)7(9)6-3-4-11-5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDKBCSKRFSZEHFE-LURJTMIESA-N
XLogP0.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.04
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 (3S)-N-methoxy-N-methyloxolane-3-carboxamide?
The IUPAC name of (3S)-N-methoxy-N-methyloxolane-3-carboxamide (CID 93496983) is (3S)-N-methoxy-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-methoxy-N-methyloxolane-3-carboxamide?
The canonical SMILES for (3S)-N-methoxy-N-methyloxolane-3-carboxamide is CON(C)C(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-methoxy-N-methyloxolane-3-carboxamide?
The InChIKey is DKBCSKRFSZEHFE-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(10-2)7(9)6-3-4-11-5-6/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-N-methoxy-N-methyloxolane-3-carboxamide?
(3S)-N-methoxy-N-methyloxolane-3-carboxamide has a molecular weight of 159.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 93496983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).