(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide

C6H11NO3 — CID 121479436

IUPAC(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
SMILESC[C@H](C=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(3-8)5(9)2-6(7)10/h3-5,9H,2H2,1H3,(H2,7,10)/t4-,5+/m1/s1
InChIKeyFLYXWWJKVXGFBP-UHNVWZDZSA-N
MW145.16 g/mol
LogP-0.94
Rot. Bonds4

About (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide

(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide (PubChem CID 121479436) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
PubChem CID121479436
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
SMILESC[C@H](C=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(3-8)5(9)2-6(7)10/h3-5,9H,2H2,1H3,(H2,7,10)/t4-,5+/m1/s1
InChIKeyFLYXWWJKVXGFBP-UHNVWZDZSA-N
XLogP-0.94
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.94
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)-3-hydroxy-4-methyl-6-oxohexanamide
CID 118374709
(E,2S,3R)-3-hydroxy-2,5-dimethylhept-5-enal
CID 135009442
3-hydroxy-4,5-dimethylhexanamide
CID 89154230
3-methylbutanamide
CID 87933309
(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
CID 118374581
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840
4-hydroxy-3-methylpentanamide
CID 21402958
3-methylbutanamide;propanal
CID 145275365
(E,3S,4R)-3-hydroxy-4-methyl-7-morpholin-4-ylhept-5-enamide
CID 118882685
3-hydroxy-2,5-dimethylheptanal
CID 87291844
3-hydroxy-2-methylhept-6-enal
CID 15601022
(3S)-3-aminobutanamide;hydrochloride
CID 57478871

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide?
The IUPAC name of (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide (CID 121479436) is (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide?
The canonical SMILES for (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide is C[C@H](C=O)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide?
The InChIKey is FLYXWWJKVXGFBP-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(3-8)5(9)2-6(7)10/h3-5,9H,2H2,1H3,(H2,7,10)/t4-,5+/m1/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide?
(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide has a molecular weight of 145.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide is sourced from PubChem (CID 121479436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).