N-(5,6-dihydroxy-2-oxohexyl)propanamide

C9H17NO4 — CID 123335377

IUPACN-(5,6-dihydroxy-2-oxohexyl)propanamide
SMILESCCC(=O)NCC(=O)CCC(O)CO
InChIInChI=1S/C9H17NO4/c1-2-9(14)10-5-7(12)3-4-8(13)6-11/h8,11,13H,2-6H2,1H3,(H,10,14)
InChIKeyWASTZTFSTSOVOK-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.78
Rot. Bonds7

About N-(5,6-dihydroxy-2-oxohexyl)propanamide

N-(5,6-dihydroxy-2-oxohexyl)propanamide (PubChem CID 123335377) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(5,6-dihydroxy-2-oxohexyl)propanamide.

Molecular Properties

Compound NameN-(5,6-dihydroxy-2-oxohexyl)propanamide
PubChem CID123335377
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(5,6-dihydroxy-2-oxohexyl)propanamide
SMILESCCC(=O)NCC(=O)CCC(O)CO
InChIInChI=1S/C9H17NO4/c1-2-9(14)10-5-7(12)3-4-8(13)6-11/h8,11,13H,2-6H2,1H3,(H,10,14)
InChIKeyWASTZTFSTSOVOK-UHFFFAOYSA-N
XLogP-0.78
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5,6-dihydroxy-1-(methylamino)hexan-2-one
CID 147622827
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-(5,6-dihydroxy-3-methylhexyl)propanamide
CID 170744814
pentane-1,2-diol;propanoic acid
CID 71342512
(Z)-1,2-dihydroxydocos-13-en-5-one
CID 89218379
6-hydroxyoctan-3-one
CID 15920952
3,7,8-trihydroxyoctan-4-one
CID 174715616
N-(2-oxopropyl)propanamide
CID 23550155
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
(4R)-4,5-dihydroxypentanamide
CID 140573063

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxy-2-oxohexyl)propanamide?
The IUPAC name of N-(5,6-dihydroxy-2-oxohexyl)propanamide (CID 123335377) is N-(5,6-dihydroxy-2-oxohexyl)propanamide.
What is the SMILES notation for N-(5,6-dihydroxy-2-oxohexyl)propanamide?
The canonical SMILES for N-(5,6-dihydroxy-2-oxohexyl)propanamide is CCC(=O)NCC(=O)CCC(O)CO.
What is the InChIKey of N-(5,6-dihydroxy-2-oxohexyl)propanamide?
The InChIKey is WASTZTFSTSOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-9(14)10-5-7(12)3-4-8(13)6-11/h8,11,13H,2-6H2,1H3,(H,10,14).
What are the key properties of N-(5,6-dihydroxy-2-oxohexyl)propanamide?
N-(5,6-dihydroxy-2-oxohexyl)propanamide has a molecular weight of 203.24 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxy-2-oxohexyl)propanamide is sourced from PubChem (CID 123335377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).