(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide

C8H17NO3 — CID 10511456

IUPAC(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide
SMILESCC[C@H](O)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyAMNAGDZXXCUJOS-BQBZGAKWSA-N
MW175.23 g/mol
LogP0.41
Rot. Bonds4

About (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide

(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide (PubChem CID 10511456) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide
PubChem CID10511456
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide
SMILESCC[C@H](O)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyAMNAGDZXXCUJOS-BQBZGAKWSA-N
XLogP0.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 10921030
(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide
CID 102357333
(2R,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
CID 177482145
(3S)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197451
(3R)-3-hydroxy-N-methoxy-N-methylhexanamide
CID 15526417
(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide
CID 134939493
(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055120
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055401
(3R)-3-hydroxy-N-methoxy-N-methyl-3-(2-methylcyclopropyl)propanamide
CID 145945165
(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide
CID 102357334
(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
CID 102357335
[(3-Hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite
CID 155782234

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The IUPAC name of (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide (CID 10511456) is (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The canonical SMILES for (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide is CC[C@H](O)[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The InChIKey is AMNAGDZXXCUJOS-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
(2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide has a molecular weight of 175.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-N-methoxy-N,2-dimethylpentanamide is sourced from PubChem (CID 10511456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).