methyl 2-acetamido-2,4-dimethylpentanoate

C10H19NO3 — CID 24978228

IUPACmethyl 2-acetamido-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)6-10(4,9(13)14-5)11-8(3)12/h7H,6H2,1-5H3,(H,11,12)
InChIKeyVKLBFLBHLBHIBZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds4

About methyl 2-acetamido-2,4-dimethylpentanoate

methyl 2-acetamido-2,4-dimethylpentanoate (PubChem CID 24978228) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-acetamido-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-2,4-dimethylpentanoate
PubChem CID24978228
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-acetamido-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)6-10(4,9(13)14-5)11-8(3)12/h7H,6H2,1-5H3,(H,11,12)
InChIKeyVKLBFLBHLBHIBZ-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
methyl 2-acetamido-2-methyl-3-oxobutanoate
CID 87370623
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
methyl (2R)-3-iodo-2-methyl-2-(2-methylpropanoylamino)propanoate
CID 101206393
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2,4-dimethylpentanoate?
The IUPAC name of methyl 2-acetamido-2,4-dimethylpentanoate (CID 24978228) is methyl 2-acetamido-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-acetamido-2,4-dimethylpentanoate?
The canonical SMILES for methyl 2-acetamido-2,4-dimethylpentanoate is COC(=O)C(C)(CC(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-2,4-dimethylpentanoate?
The InChIKey is VKLBFLBHLBHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-10(4,9(13)14-5)11-8(3)12/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of methyl 2-acetamido-2,4-dimethylpentanoate?
methyl 2-acetamido-2,4-dimethylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2,4-dimethylpentanoate is sourced from PubChem (CID 24978228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).