(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one

C7H13NO3 — CID 11600713

IUPAC(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one
SMILESCC[C@H](O)[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H13NO3/c1-2-6(9)5-3-4-11-7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1
InChIKeyVSTCTEMOHIWLLD-RITPCOANSA-N
MW159.18 g/mol
LogP0.26
Rot. Bonds2

About (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one

(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one (PubChem CID 11600713) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one
PubChem CID11600713
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one
SMILESCC[C@H](O)[C@H]1CCOC(=O)N1
InChIInChI=1S/C7H13NO3/c1-2-6(9)5-3-4-11-7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1
InChIKeyVSTCTEMOHIWLLD-RITPCOANSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one (CID 11600713) is (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one is CC[C@H](O)[C@H]1CCOC(=O)N1.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one?
The InChIKey is VSTCTEMOHIWLLD-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-6(9)5-3-4-11-7(10)8-5/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one?
(4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxypropyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 11600713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).