(3R)-3-hydroxy-N-methoxy-N-methylbutanamide

C6H13NO3 — CID 11977247

IUPAC(3R)-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@@H](C)O
InChIInChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3/t5-/m1/s1
InChIKeyNDBGHZGGGJGLNT-RXMQYKEDSA-N
MW147.17 g/mol
LogP-0.22
Rot. Bonds3

About (3R)-3-hydroxy-N-methoxy-N-methylbutanamide

(3R)-3-hydroxy-N-methoxy-N-methylbutanamide (PubChem CID 11977247) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-methoxy-N-methylbutanamide
PubChem CID11977247
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3R)-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@@H](C)O
InChIInChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3/t5-/m1/s1
InChIKeyNDBGHZGGGJGLNT-RXMQYKEDSA-N
XLogP-0.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.22
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

(3S)-3-hydroxy-N,N-dimethylbutanamide
CID 11600674
(3R)-3-hydroxy-N,N-dimethylbutanamide
CID 11672674
4,4,4-trifluoro-3-hydroxy-N-methoxy-N-methylbutanamide
CID 44248366
3-hydroxy-N,N-dimethylbutanamide
CID 13197444
(3S)-N,3-dimethoxy-N-methylbutanamide
CID 24881353
N,3-dimethoxy-N-methylbutanamide
CID 74343458
(3S)-3-Hydroxy-N-methoxy-N-methyl-butanamide
CID 12156202
3-hydroxy-N-methoxy-N-methylpropanamide
CID 23226612
(2R)-3-hydroxy-N-methoxy-N,2-dimethylpropanamide
CID 24787605
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
(3R)-3-hydroperoxy-N-methoxy-N-methylbutanamide
CID 89839394
2-(hydroxymethyl)-N-methoxy-N-methylbutanamide
CID 90959866

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylbutanamide?
The IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylbutanamide (CID 11977247) is (3R)-3-hydroxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for (3R)-3-hydroxy-N-methoxy-N-methylbutanamide is CON(C)C(=O)C[C@@H](C)O.
What is the InChIKey of (3R)-3-hydroxy-N-methoxy-N-methylbutanamide?
The InChIKey is NDBGHZGGGJGLNT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-methoxy-N-methylbutanamide?
(3R)-3-hydroxy-N-methoxy-N-methylbutanamide has a molecular weight of 147.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 11977247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).