methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate

C8H15NO4 — CID 102460935

IUPACmethyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
SMILESCOC(=O)[C@H](O)C(C)(C)NC(C)=O
InChIInChI=1S/C8H15NO4/c1-5(10)9-8(2,3)6(11)7(12)13-4/h6,11H,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeyCCZOBNTWEFMWJK-LURJTMIESA-N
MW189.21 g/mol
LogP-0.56
Rot. Bonds3

About methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate

methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate (PubChem CID 102460935) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
PubChem CID102460935
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
SMILESCOC(=O)[C@H](O)C(C)(C)NC(C)=O
InChIInChI=1S/C8H15NO4/c1-5(10)9-8(2,3)6(11)7(12)13-4/h6,11H,1-4H3,(H,9,10)/t6-/m0/s1
InChIKeyCCZOBNTWEFMWJK-LURJTMIESA-N
XLogP-0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
methyl 3-fluoro-2-hydroxy-3-methylbutanoate
CID 15136874
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
N-[2-methyl-3-(methylamino)butan-2-yl]acetamide
CID 170339118
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
N-(2,3-dimethylpent-4-en-2-yl)acetamide
CID 143357201

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate?
The IUPAC name of methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate (CID 102460935) is methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate?
The canonical SMILES for methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate is COC(=O)[C@H](O)C(C)(C)NC(C)=O.
What is the InChIKey of methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate?
The InChIKey is CCZOBNTWEFMWJK-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(10)9-8(2,3)6(11)7(12)13-4/h6,11H,1-4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate?
methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate has a molecular weight of 189.21 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 102460935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).