(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide

C8H15NO3 — CID 167208622

IUPAC(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide
SMILESC[C@@H](CCO)C(=O)NC1COC1
InChIInChI=1S/C8H15NO3/c1-6(2-3-10)8(11)9-7-4-12-5-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyMDYYGTOCJQXAPT-LURJTMIESA-N
MW173.21 g/mol
LogP-0.48
Rot. Bonds4

About (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide

(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide (PubChem CID 167208622) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide
PubChem CID167208622
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide
SMILESC[C@@H](CCO)C(=O)NC1COC1
InChIInChI=1S/C8H15NO3/c1-6(2-3-10)8(11)9-7-4-12-5-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyMDYYGTOCJQXAPT-LURJTMIESA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-(oxetan-3-ylamino)-4-oxobutanoic acid
CID 103498793
2-cyano-N-(oxetan-3-yl)propanamide
CID 163414148
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
N-[3-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
CID 165445060
N-cycloheptyl-2-methylpentanamide
CID 4532030
2-bromo-N-(1,4-dioxepan-6-yl)-3-methylbutanamide
CID 130622225
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
N-cyclobutyl-2-methyl-4-(2-methylpropanoylamino)butanamide
CID 170059665

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide?
The IUPAC name of (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide (CID 167208622) is (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide.
What is the SMILES notation for (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide?
The canonical SMILES for (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide is C[C@@H](CCO)C(=O)NC1COC1.
What is the InChIKey of (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide?
The InChIKey is MDYYGTOCJQXAPT-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2-3-10)8(11)9-7-4-12-5-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide?
(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide has a molecular weight of 173.21 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide is sourced from PubChem (CID 167208622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).