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Methyl 4-methyl-2-(prop-2-enoxycarbonylamino)pentanoate

HCID 22910329
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CCOC(=O)NC(CC(C)C)C(=O)OC
InChIKey
QFQGNBYZXZRPBP-UHFFFAOYSA-N
Molecular formula
C11H19NO4
Average molar mass
229.27 g/mol

Names & identifiers

Preferred name
Methyl 4-methyl-2-(prop-2-enoxycarbonylamino)pentanoate
IUPAC
methyl 4-methyl-2-(prop-2-enoxycarbonylamino)pentanoate

Names & synonyms

SCHEMBL7269272AKOS009090335

Database identifiers

PubChem CID
22910329

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
16
Formal charge
0
Complexity
250

Related reactions

1 records
New reaction record
HRID 155824 reaction equation
HRID 155824As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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