methyl 2-formamido-3,3-dimethylbutanoate

C8H15NO3 — CID 56982521

IUPACmethyl 2-formamido-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC=O)C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(9-5-10)7(11)12-4/h5-6H,1-4H3,(H,9,10)
InChIKeyQVARGCWPCBWSDX-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-formamido-3,3-dimethylbutanoate

methyl 2-formamido-3,3-dimethylbutanoate (PubChem CID 56982521) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-formamido-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-formamido-3,3-dimethylbutanoate
PubChem CID56982521
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-formamido-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC=O)C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(9-5-10)7(11)12-4/h5-6H,1-4H3,(H,9,10)
InChIKeyQVARGCWPCBWSDX-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-3,3-dimethylbutanoate?
The IUPAC name of methyl 2-formamido-3,3-dimethylbutanoate (CID 56982521) is methyl 2-formamido-3,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-formamido-3,3-dimethylbutanoate?
The canonical SMILES for methyl 2-formamido-3,3-dimethylbutanoate is COC(=O)C(NC=O)C(C)(C)C.
What is the InChIKey of methyl 2-formamido-3,3-dimethylbutanoate?
The InChIKey is QVARGCWPCBWSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)6(9-5-10)7(11)12-4/h5-6H,1-4H3,(H,9,10).
What are the key properties of methyl 2-formamido-3,3-dimethylbutanoate?
methyl 2-formamido-3,3-dimethylbutanoate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-3,3-dimethylbutanoate is sourced from PubChem (CID 56982521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).