(2R)-N-hydroxy-N,2-dimethylbutanamide

C6H13NO2 — CID 171076136

IUPAC(2R)-N-hydroxy-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)N(C)O
InChIInChI=1S/C6H13NO2/c1-4-5(2)6(8)7(3)9/h5,9H,4H2,1-3H3/t5-/m1/s1
InChIKeyIHABNQYBSDMQFF-RXMQYKEDSA-N
MW131.18 g/mol
LogP0.88
Rot. Bonds2

About (2R)-N-hydroxy-N,2-dimethylbutanamide

(2R)-N-hydroxy-N,2-dimethylbutanamide (PubChem CID 171076136) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2R)-N-hydroxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-N,2-dimethylbutanamide
PubChem CID171076136
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2R)-N-hydroxy-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)N(C)O
InChIInChI=1S/C6H13NO2/c1-4-5(2)6(8)7(3)9/h5,9H,4H2,1-3H3/t5-/m1/s1
InChIKeyIHABNQYBSDMQFF-RXMQYKEDSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N,2-dimethylbutanamide
CID 89343843
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
CID 162288992
[ethyl(2-methylbutanoyl)amino]phosphonic acid
CID 87900288
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
CID 142005594
2,5-dimethylheptan-4-one
CID 12580686
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-N,2-dimethylbutanamide?
The IUPAC name of (2R)-N-hydroxy-N,2-dimethylbutanamide (CID 171076136) is (2R)-N-hydroxy-N,2-dimethylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-N,2-dimethylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-N,2-dimethylbutanamide is CC[C@@H](C)C(=O)N(C)O.
What is the InChIKey of (2R)-N-hydroxy-N,2-dimethylbutanamide?
The InChIKey is IHABNQYBSDMQFF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5(2)6(8)7(3)9/h5,9H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-N-hydroxy-N,2-dimethylbutanamide?
(2R)-N-hydroxy-N,2-dimethylbutanamide has a molecular weight of 131.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-N,2-dimethylbutanamide is sourced from PubChem (CID 171076136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).