methyl (2R)-2-acetamido-2,3-dimethylbutanoate

C9H17NO3 — CID 131864088

IUPACmethyl (2R)-2-acetamido-2,3-dimethylbutanoate
SMILESCOC(=O)[C@](C)(NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)9(4,8(12)13-5)10-7(3)11/h6H,1-5H3,(H,10,11)/t9-/m1/s1
InChIKeyITBKJHJOMRYKSX-SECBINFHSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds3

About methyl (2R)-2-acetamido-2,3-dimethylbutanoate

methyl (2R)-2-acetamido-2,3-dimethylbutanoate (PubChem CID 131864088) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-2,3-dimethylbutanoate
PubChem CID131864088
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2R)-2-acetamido-2,3-dimethylbutanoate
SMILESCOC(=O)[C@](C)(NC(C)=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)9(4,8(12)13-5)10-7(3)11/h6H,1-5H3,(H,10,11)/t9-/m1/s1
InChIKeyITBKJHJOMRYKSX-SECBINFHSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-2,3-dimethylbutanoate?
The IUPAC name of methyl (2R)-2-acetamido-2,3-dimethylbutanoate (CID 131864088) is methyl (2R)-2-acetamido-2,3-dimethylbutanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-2,3-dimethylbutanoate?
The canonical SMILES for methyl (2R)-2-acetamido-2,3-dimethylbutanoate is COC(=O)[C@](C)(NC(C)=O)C(C)C.
What is the InChIKey of methyl (2R)-2-acetamido-2,3-dimethylbutanoate?
The InChIKey is ITBKJHJOMRYKSX-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)9(4,8(12)13-5)10-7(3)11/h6H,1-5H3,(H,10,11)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-2,3-dimethylbutanoate?
methyl (2R)-2-acetamido-2,3-dimethylbutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-2,3-dimethylbutanoate is sourced from PubChem (CID 131864088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).