N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide

C9H17NO3 — CID 172572264

IUPACN-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C9H17NO3/c1-2-9(12)10-7-3-4-8(5-11)13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyYPEMIIHIUDOIER-SFYZADRCSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds3

About N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide

N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide (PubChem CID 172572264) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
PubChem CID172572264
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C9H17NO3/c1-2-9(12)10-7-3-4-8(5-11)13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyYPEMIIHIUDOIER-SFYZADRCSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 90108644
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
CID 177078681
N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide
CID 134289465
tert-butyl N-[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamate;[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl methanesulfonate
CID 162042345
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
[(3R,6S)-6-(iodomethyl)oxan-3-yl]carbamic acid
CID 141137968
N-(3-aminocyclopentyl)propanamide
CID 83619264
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
CID 174157961

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide?
The IUPAC name of N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide (CID 172572264) is N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide.
What is the SMILES notation for N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide?
The canonical SMILES for N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide is CCC(=O)N[C@@H]1CC[C@@H](CO)OC1.
What is the InChIKey of N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide?
The InChIKey is YPEMIIHIUDOIER-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-9(12)10-7-3-4-8(5-11)13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide?
N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide is sourced from PubChem (CID 172572264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).