(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide

C7H15NO3 — CID 147676110

IUPAC(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
SMILESCNC(=O)[C@@H](C)CC(O)OC
InChIInChI=1S/C7H15NO3/c1-5(7(10)8-2)4-6(9)11-3/h5-6,9H,4H2,1-3H3,(H,8,10)/t5-,6?/m0/s1
InChIKeyGOEUCISIAVQDGE-ZBHICJROSA-N
MW161.20 g/mol
LogP-0.28
Rot. Bonds4

About (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide

(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide (PubChem CID 147676110) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
PubChem CID147676110
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
SMILESCNC(=O)[C@@H](C)CC(O)OC
InChIInChI=1S/C7H15NO3/c1-5(7(10)8-2)4-6(9)11-3/h5-6,9H,4H2,1-3H3,(H,8,10)/t5-,6?/m0/s1
InChIKeyGOEUCISIAVQDGE-ZBHICJROSA-N
XLogP-0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide?
The IUPAC name of (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide (CID 147676110) is (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide is CNC(=O)[C@@H](C)CC(O)OC.
What is the InChIKey of (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide?
The InChIKey is GOEUCISIAVQDGE-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(7(10)8-2)4-6(9)11-3/h5-6,9H,4H2,1-3H3,(H,8,10)/t5-,6?/m0/s1.
What are the key properties of (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide?
(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide has a molecular weight of 161.20 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 147676110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).