(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide

C7H13NO3 — CID 118374709

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
SMILESC[C@H](CC=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C7H13NO3/c1-5(2-3-9)6(10)4-7(8)11/h3,5-6,10H,2,4H2,1H3,(H2,8,11)/t5-,6+/m1/s1
InChIKeyGYCKTRAJVNXSHJ-RITPCOANSA-N
MW159.19 g/mol
LogP-0.55
Rot. Bonds5

About (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide

(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide (PubChem CID 118374709) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
PubChem CID118374709
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
SMILESC[C@H](CC=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C7H13NO3/c1-5(2-3-9)6(10)4-7(8)11/h3,5-6,10H,2,4H2,1H3,(H2,8,11)/t5-,6+/m1/s1
InChIKeyGYCKTRAJVNXSHJ-RITPCOANSA-N
XLogP-0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
CID 118374581
(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
CID 121479436
3-hydroxy-4,5-dimethylhexanamide
CID 89154230
4-hydroxy-3-methylpentanamide
CID 21402958
3-methylbutanamide;propanal
CID 145275365
2-amino-3-methyl-5-oxopentanoic acid
CID 22594684
3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid
CID 156602896
ethyl 4-amino-4-oxo-2-(2-oxoethyl)butanoate
CID 141031840
3,4,5-trimethyl-7-oxooctanal
CID 87219709
(E,3S,4R)-3,4-dimethyloct-6-enamide
CID 89087152
3-methylbutanamide
CID 87933309
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide (CID 118374709) is (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide is C[C@H](CC=O)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide?
The InChIKey is GYCKTRAJVNXSHJ-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2-3-9)6(10)4-7(8)11/h3,5-6,10H,2,4H2,1H3,(H2,8,11)/t5-,6+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide has a molecular weight of 159.19 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide is sourced from PubChem (CID 118374709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).