N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide

C9H19NO4 — CID 87280956

IUPACN-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide
SMILESCCC(=O)NCC[C@@H](O)C[C@H](O)CO
InChIInChI=1S/C9H19NO4/c1-2-9(14)10-4-3-7(12)5-8(13)6-11/h7-8,11-13H,2-6H2,1H3,(H,10,14)/t7-,8+/m1/s1
InChIKeyVLWBOIRKPMMMDZ-SFYZADRCSA-N
MW205.25 g/mol
LogP-0.99
Rot. Bonds7

About N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide

N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide (PubChem CID 87280956) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide.

Molecular Properties

Compound NameN-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide
PubChem CID87280956
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide
SMILESCCC(=O)NCC[C@@H](O)C[C@H](O)CO
InChIInChI=1S/C9H19NO4/c1-2-9(14)10-4-3-7(12)5-8(13)6-11/h7-8,11-13H,2-6H2,1H3,(H,10,14)/t7-,8+/m1/s1
InChIKeyVLWBOIRKPMMMDZ-SFYZADRCSA-N
XLogP-0.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide?
The IUPAC name of N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide (CID 87280956) is N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide.
What is the SMILES notation for N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide?
The canonical SMILES for N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide is CCC(=O)NCC[C@@H](O)C[C@H](O)CO.
What is the InChIKey of N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide?
The InChIKey is VLWBOIRKPMMMDZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO4/c1-2-9(14)10-4-3-7(12)5-8(13)6-11/h7-8,11-13H,2-6H2,1H3,(H,10,14)/t7-,8+/m1/s1.
What are the key properties of N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide?
N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide has a molecular weight of 205.25 g/mol, XLogP of -0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3,5,6-trihydroxyhexyl]propanamide is sourced from PubChem (CID 87280956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).