(3R,5S)-5-methoxyoxane-3-carboxamide

C7H13NO3 — CID 69124485

IUPAC(3R,5S)-5-methoxyoxane-3-carboxamide
SMILESCO[C@@H]1COC[C@H](C(N)=O)C1
InChIInChI=1S/C7H13NO3/c1-10-6-2-5(7(8)9)3-11-4-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyPOMNVNCZWYDWRI-RITPCOANSA-N
MW159.18 g/mol
LogP-0.48
Rot. Bonds2

About (3R,5S)-5-methoxyoxane-3-carboxamide

(3R,5S)-5-methoxyoxane-3-carboxamide (PubChem CID 69124485) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3R,5S)-5-methoxyoxane-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-methoxyoxane-3-carboxamide
PubChem CID69124485
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3R,5S)-5-methoxyoxane-3-carboxamide
SMILESCO[C@@H]1COC[C@H](C(N)=O)C1
InChIInChI=1S/C7H13NO3/c1-10-6-2-5(7(8)9)3-11-4-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyPOMNVNCZWYDWRI-RITPCOANSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methoxyoxane-3-carboxamide?
The IUPAC name of (3R,5S)-5-methoxyoxane-3-carboxamide (CID 69124485) is (3R,5S)-5-methoxyoxane-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-methoxyoxane-3-carboxamide?
The canonical SMILES for (3R,5S)-5-methoxyoxane-3-carboxamide is CO[C@@H]1COC[C@H](C(N)=O)C1.
What is the InChIKey of (3R,5S)-5-methoxyoxane-3-carboxamide?
The InChIKey is POMNVNCZWYDWRI-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-6-2-5(7(8)9)3-11-4-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1.
What are the key properties of (3R,5S)-5-methoxyoxane-3-carboxamide?
(3R,5S)-5-methoxyoxane-3-carboxamide has a molecular weight of 159.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methoxyoxane-3-carboxamide is sourced from PubChem (CID 69124485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).