methyl 3-acetamido-2,2,3-trimethylbutanoate

C10H19NO3 — CID 21299733

IUPACmethyl 3-acetamido-2,2,3-trimethylbutanoate
SMILESCOC(=O)C(C)(C)C(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(12)11-10(4,5)9(2,3)8(13)14-6/h1-6H3,(H,11,12)
InChIKeyVDROQSBGDCVUPX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds3

About methyl 3-acetamido-2,2,3-trimethylbutanoate

methyl 3-acetamido-2,2,3-trimethylbutanoate (PubChem CID 21299733) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-acetamido-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Namemethyl 3-acetamido-2,2,3-trimethylbutanoate
PubChem CID21299733
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-acetamido-2,2,3-trimethylbutanoate
SMILESCOC(=O)C(C)(C)C(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(12)11-10(4,5)9(2,3)8(13)14-6/h1-6H3,(H,11,12)
InChIKeyVDROQSBGDCVUPX-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-2-methyl-3-oxobutanoate
CID 87370623
dimethyl 2-hydroxy-2,3,3-trimethylbutanedioate
CID 11390086
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
N-[2-(dimethyl-λ3-iodanyl)propan-2-yl]acetamide
CID 163825118
methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
CID 102460935
dimethyl 2-acetyloxy-2-methylpropanedioate
CID 87273644
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
dimethyl 2-iodo-2-methylpropanedioate
CID 23080719
methyl 2-acetyl-2-hydroxy-3-oxobutanoate
CID 59771908
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
tetramethyl 1-acetamido-3-fluoropropane-1,1,3,3-tetracarboxylate
CID 131859102

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-2,2,3-trimethylbutanoate?
The IUPAC name of methyl 3-acetamido-2,2,3-trimethylbutanoate (CID 21299733) is methyl 3-acetamido-2,2,3-trimethylbutanoate.
What is the SMILES notation for methyl 3-acetamido-2,2,3-trimethylbutanoate?
The canonical SMILES for methyl 3-acetamido-2,2,3-trimethylbutanoate is COC(=O)C(C)(C)C(C)(C)NC(C)=O.
What is the InChIKey of methyl 3-acetamido-2,2,3-trimethylbutanoate?
The InChIKey is VDROQSBGDCVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)11-10(4,5)9(2,3)8(13)14-6/h1-6H3,(H,11,12).
What are the key properties of methyl 3-acetamido-2,2,3-trimethylbutanoate?
methyl 3-acetamido-2,2,3-trimethylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-2,2,3-trimethylbutanoate is sourced from PubChem (CID 21299733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).