(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide

C7H14N2O3S — CID 57298662

IUPAC(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](NC(C)=O)C(=O)N(C)O
InChIInChI=1S/C7H14N2O3S/c1-5(10)8-6(4-13-3)7(11)9(2)12/h6,12H,4H2,1-3H3,(H,8,10)/t6-/m0/s1
InChIKeyOMVLKZBHCMEKSK-LURJTMIESA-N
MW206.27 g/mol
LogP-0.30
Rot. Bonds4

About (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide

(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide (PubChem CID 57298662) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide
PubChem CID57298662
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](NC(C)=O)C(=O)N(C)O
InChIInChI=1S/C7H14N2O3S/c1-5(10)8-6(4-13-3)7(11)9(2)12/h6,12H,4H2,1-3H3,(H,8,10)/t6-/m0/s1
InChIKeyOMVLKZBHCMEKSK-LURJTMIESA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide (CID 57298662) is (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide is CSC[C@H](NC(C)=O)C(=O)N(C)O.
What is the InChIKey of (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is OMVLKZBHCMEKSK-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5(10)8-6(4-13-3)7(11)9(2)12/h6,12H,4H2,1-3H3,(H,8,10)/t6-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide?
(2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 206.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-hydroxy-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 57298662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).