3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide

C10H19NO6 — CID 54281179

IUPAC3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide
SMILESCC(O)CC(=O)N[C@@H](C(=O)CO)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C10H19NO6/c1-5(13)3-8(16)11-9(7(15)4-12)10(17)6(2)14/h5-6,9-10,12-14,17H,3-4H2,1-2H3,(H,11,16)/t5?,6-,9+,10+/m1/s1
InChIKeyRQWVADCDSCRBAL-ORPLZSCASA-N
MW249.26 g/mol
LogP-2.45
Rot. Bonds7

About 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide

3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide (PubChem CID 54281179) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide
PubChem CID54281179
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide
SMILESCC(O)CC(=O)N[C@@H](C(=O)CO)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C10H19NO6/c1-5(13)3-8(16)11-9(7(15)4-12)10(17)6(2)14/h5-6,9-10,12-14,17H,3-4H2,1-2H3,(H,11,16)/t5?,6-,9+,10+/m1/s1
InChIKeyRQWVADCDSCRBAL-ORPLZSCASA-N
XLogP-2.45
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide with MolForge

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Related Compounds

(3R)-3-hydroxy-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 89065731
ethyl (2R)-2-[[(3S)-3-hydroxybutanoyl]amino]-3-methylbutanoate
CID 170194218
1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
(2S)-2-[[(2S,3S)-2-(3-hydroxybutanoylamino)-3-methylpentanoyl]amino]propanoic acid
CID 139404582
CID 90459779
CID 90459779
(3S)-3-hydroxy-N-[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]butanamide
CID 166658845
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
potassium 3-hydroxy-N-oxidobutanamide
CID 130127613
N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
CID 144918100
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
5-hydroxy-2-methylhexan-3-one
CID 536853
2-[[2-(3-hydroxybutanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 175102586

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide?
The IUPAC name of 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide (CID 54281179) is 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide.
What is the SMILES notation for 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide?
The canonical SMILES for 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide is CC(O)CC(=O)N[C@@H](C(=O)CO)[C@@H](O)[C@@H](C)O.
What is the InChIKey of 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide?
The InChIKey is RQWVADCDSCRBAL-ORPLZSCASA-N. The full InChI is InChI=1S/C10H19NO6/c1-5(13)3-8(16)11-9(7(15)4-12)10(17)6(2)14/h5-6,9-10,12-14,17H,3-4H2,1-2H3,(H,11,16)/t5?,6-,9+,10+/m1/s1.
What are the key properties of 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide?
3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide has a molecular weight of 249.26 g/mol, XLogP of -2.45, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3R,4R,5R)-1,4,5-trihydroxy-2-oxohexan-3-yl]butanamide is sourced from PubChem (CID 54281179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).